250781
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4.5981
4.5981
3.732
6.3301
2.866
4.5981
3.732
2.866
5.4641
4.5981
3.732
2.866
5.4641
3.732
2.866
3.732
2
2.866
2
3.732
2
2
2.866
4.8101
5.2087
2.2554
2.654
6.001
4.269
2.866
4.269
1.4631
6.8671
6.3301
2.3291
2.866
1.4631
4.269
1.4631
1.4631
2.866
2
-1
0.5
-1
-1
-2
-0.5
1
-0.5
1
-2.5
2
0.5
-3.5
-2
2.5
2.5
-4
-2.5
3.5
3.5
-3.5
4
-2.5826
-1.8923
1.1077
0.4174
0.81
-3.81
-1.38
2.19
2.19
-0.69
-1.62
-0.69
-4.62
-2.19
3.81
3.81
-3.81
4.62
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
475
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
3
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
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07BA000000000000000000000000000000000000000306080000000000000014000001E00100000000C00C19804310083400000A80221527000820000A002000988000804C88820228099118420086887028888471080000E00000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
6-amino-1,3-dibenzyl-2-imino-pyrimidin-4-one
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
6-amino-2-imino-1,3-bis(phenylmethyl)-4-pyrimidinone
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
6-amino-1,3-dibenzyl-2-iminopyrimidin-4-one
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
6-azanyl-2-azanylidene-1,3-bis(phenylmethyl)pyrimidin-4-one
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
6-amino-1,3-dibenzyl-2-imino-pyrimidin-4-one
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C18H18N4O/c19-16-11-17(23)22(13-15-9-5-2-6-10-15)18(20)21(16)12-14-7-3-1-4-8-14/h1-11,20H,12-13,19H2
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
XXTTYBFAMDJSTQ-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
2
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
306.148061
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C18H18N4O
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
306.36172
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C=C1)CN2C(=CC(=O)N(C2=N)CC3=CC=CC=C3)N
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C=C1)CN2C(=CC(=O)N(C2=N)CC3=CC=CC=C3)N
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
73.4
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
306.148061
23
0
0
0
0
0
0
0
1
3