3585625
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4.5981
2.866
8.0622
3.732
6.3301
7.1962
5.4641
5.4641
4.5981
6.3301
3.732
4.5981
7.1962
4.5981
2.866
2.866
3.732
6.3301
2
3.732
3.732
2.866
2
2
3.732
5.4641
6.3301
3.732
5.135
7.7331
2.3291
3.732
6.9501
6.3301
5.7101
1.788
1.3894
3.1215
3.52
4.3426
3.9441
3.403
1.38
2
2.62
4.042
4.269
3.422
2.31
1.4631
1.69
1
3
-2
-0.5
-2
-0.5
-1.5
-0.5
-2
0
-1.5
-3
-1.5
0
-3
-2
-3.5
1
-3.5
1.5
2.5
4
-4.5
4.5
4.5
-2.35
-2.62
-0.88
-3.31
-0.19
-1.69
-4.12
1
1.62
1
-2.9174
-3.6077
1.6077
0.9174
2.3923
3.0826
3.69
-4.5
-5.12
-4.5
3.9631
4.81
5.0369
5.0369
4.81
3.9631
3
8
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26
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17
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
508
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
2
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
8
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07B3800000000000000000000000000000000000000304000000000000000010000001E00100000000C3CE19806330882C00400880224D258008200002000000888810804C889243A80B1118630086E96020AA94798C8E08E40000000000000008000000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-isopropoxyethyl 4-(4-ethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-(4-ethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-propan-2-yloxyethyl ester
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-propan-2-yloxyethyl 4-(4-ethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-propan-2-yloxyethyl 4-(4-ethylphenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-(4-ethylphenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-isopropoxyethyl ester
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C19H26N2O4/c1-5-14-6-8-15(9-7-14)17-16(13(4)20-19(23)21-17)18(22)25-11-10-24-12(2)3/h6-9,12,17H,5,10-11H2,1-4H3,(H2,20,21,23)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
TZKPETAOAVOWID-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
2.5
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
346.189257
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C19H26N2O4
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
346.42074
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CCC1=CC=C(C=C1)C2C(=C(NC(=O)N2)C)C(=O)OCCOC(C)C
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CCC1=CC=C(C=C1)C2C(=C(NC(=O)N2)C)C(=O)OCCOC(C)C
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
76.7
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
346.189257
25
1
0
1
0
0
0
0
1
7