46214652
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6
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255
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9.8744
10.458
3.732
6.3301
4.5981
10.1851
5.4641
8.9282
8.9282
7.1962
8.0622
6.3301
8.0622
7.1962
9.8744
5.4641
4.5981
2.866
5.4641
2
8.0622
8.0622
6.6592
10.067
5.4641
3.732
2.4675
3.2646
10.7918
9.771
2.31
1.4631
1.69
4.9272
6.001
-0.0081
0.7966
0.2966
-1.2034
-1.2034
2.5519
-2.7034
0.2966
1.2966
0.2966
-0.2034
-0.2034
1.7966
1.2966
1.6014
0.2966
-0.2034
-0.2034
-1.7034
0.2966
-0.8234
2.4166
1.6066
-0.5974
0.9166
0.9166
-0.6783
-0.6783
2.6798
3.0134
0.8336
0.6066
-0.2403
-3.0134
-3.0134
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
1
1
2
4
4
5
5
8
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
326
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
6
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
4
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
3
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371C07380000000000000000000000000000001600000003C400000000000005801FC00001C00180000000C08C11E0433F0F6EB1000A2032662640092842B2102A01DB9A03864988828A2C0D9D184A408789802C8C8271080C00E40000040000200008000008000040000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
6-(3-amino-1H-indazol-6-yl)-N4-ethyl-pyrimidine-2,4-diamine
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
6-(3-amino-1H-indazol-6-yl)-N4-ethylpyrimidine-2,4-diamine
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
6-(3-amino-1H-indazol-6-yl)-4-N-ethylpyrimidine-2,4-diamine
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
6-(3-azanyl-1H-indazol-6-yl)-N4-ethyl-pyrimidine-2,4-diamine
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-ethyl-amine
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C13H15N7/c1-2-16-11-6-9(17-13(15)18-11)7-3-4-8-10(5-7)19-20-12(8)14/h3-6H,2H2,1H3,(H3,14,19,20)(H3,15,16,17,18)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
RIXHCYHQTKRWDU-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
1.5
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
269.138894
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C13H15N7
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
269.3051
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
CCNC1=NC(=NC(=C1)C2=CC3=C(C=C2)C(=NN3)N)N
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
CCNC1=NC(=NC(=C1)C2=CC3=C(C=C2)C(=NN3)N)N
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
119
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
269.138894
20
0
0
0
0
0
0
0
1
141