70483559
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255
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12.4583
12.4583
7.1962
5.4641
8.9282
8.0622
3.732
8.9282
2.866
7.1962
6.3301
6.3301
5.4641
8.0622
4.5981
9.7942
4.5981
9.7942
8.9282
10.6882
10.6882
2.866
3.732
11.5942
11.5942
2
12.4545
13.3263
7.8067
7.4082
5.9316
6.7287
6.7287
5.9316
4.8535
5.252
5.135
10.681
10.681
3.732
8.3913
9.4651
1.69
1.4631
2.31
13.0745
12.4521
11.8345
13.6342
13.8644
13.0183
0.1792
-1.8692
0.155
1.155
0.155
-1.345
1.155
-2.845
2.655
1.155
-0.345
1.655
0.155
-0.345
1.655
-0.345
2.655
-1.345
-1.845
0.1897
-1.8797
1.655
3.155
-0.3242
-1.3658
1.155
1.1791
-1.3725
1.0473
1.7376
-0.8199
-0.8199
2.13
2.13
0.2627
-0.4276
2.965
0.8096
-2.4996
3.775
-3.155
-3.155
1.6919
0.845
0.6181
1.1815
1.7991
1.1768
-1.9106
-1.0646
-0.8344
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
5
5
6
6
7
7
9
9
15
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16
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24
14
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0
Compound
Canonicalized
5
2012.11.26
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
505
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
9
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
1
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371E07BB0000000000000000000000000000000000000003C58B1000000000000B1FC00001E00100000000C0CC19F063FF6F7481400A003366764008288293122A009D8203EEC988D6EA2C4F8DB94342A6EC01BCAE827B0D0130E20400102000240004080020400048000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
6,7-dimethoxy-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-amine
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
6,7-dimethoxy-2-[4-(2-methyl-4-pyrimidinyl)-1-piperazinyl]-4-quinazolinamine
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
6,7-dimethoxy-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-amine
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
6,7-dimethoxy-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-amine
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
[6,7-dimethoxy-2-[4-(2-methylpyrimidin-4-yl)piperazino]quinazolin-4-yl]amine
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C19H23N7O2/c1-12-21-5-4-17(22-12)25-6-8-26(9-7-25)19-23-14-11-16(28-3)15(27-2)10-13(14)18(20)24-19/h4-5,10-11H,6-9H2,1-3H3,(H2,20,23,24)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
MVLGEYMPKMNEBG-UHFFFAOYSA-N
Log P
XLogP3
7
3.0
sioc-ccbg.ac.cn
2012.11.26
2.3
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
381.191323
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C19H23N7O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
381.43162
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
CC1=NC=CC(=N1)N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
CC1=NC=CC(=N1)N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
103
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
381.191323
28
0
0
0
0
0
0
0
1
3