1-(2,4-dimethylphenyl)-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)guanidine

C16H19N5O — CID 135645093

IUPAC1-(2,4-dimethylphenyl)-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)guanidine
SMILESCc1ccc(N/C(N)=N/c2nc3c(c(=O)[nH]2)CCC3)c(C)c1
InChIInChI=1S/C16H19N5O/c1-9-6-7-12(10(2)8-9)18-15(17)21-16-19-13-5-3-4-11(13)14(22)20-16/h6-8H,3-5H2,1-2H3,(H4,17,18,19,20,21,22)
InChIKeyFLDVSAQBUHFUIV-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.93
Rot. Bonds2

About 1-(2,4-dimethylphenyl)-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)guanidine

1-(2,4-dimethylphenyl)-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)guanidine (PubChem CID 135645093) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)guanidine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)guanidine
PubChem CID135645093
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name1-(2,4-dimethylphenyl)-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)guanidine
SMILESCc1ccc(N/C(N)=N/c2nc3c(c(=O)[nH]2)CCC3)c(C)c1
InChIInChI=1S/C16H19N5O/c1-9-6-7-12(10(2)8-9)18-15(17)21-16-19-13-5-3-4-11(13)14(22)20-16/h6-8H,3-5H2,1-2H3,(H4,17,18,19,20,21,22)
InChIKeyFLDVSAQBUHFUIV-UHFFFAOYSA-N
XLogP1.93
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(2,4-dimethylphenyl)-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methylphenyl)-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)guanidine
CID 135883195
1-(3-chloro-2-methylphenyl)-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)guanidine
CID 136824261
1-(2-methoxyphenyl)-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)guanidine
CID 135645184
1-(2,4-dimethylphenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
CID 135481551
1-(3,5-dimethoxyphenyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)guanidine
CID 135463217
1-(4-ethoxyphenyl)-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)guanidine
CID 137296745
N-(2,4-dimethylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135680917
(2R)-N-(2,4-dimethylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 135888776
2-(2-hydroxy-5-methylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135611958
4-methyl-N-[(Z)-N-(3-methylphenyl)-N'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)carbamimidoyl]benzamide
CID 135515813
N-(2,5-dimethylphenyl)-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]propanamide
CID 135595014
1-(2,4-dimethylphenyl)-2-(4-methyl-6-piperidin-1-ylpyrimidin-1-ium-2-yl)guanidine
CID 135738696

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)guanidine?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)guanidine (CID 135645093) is 1-(2,4-dimethylphenyl)-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)guanidine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)guanidine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)guanidine is Cc1ccc(N/C(N)=N/c2nc3c(c(=O)[nH]2)CCC3)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)guanidine?
The InChIKey is FLDVSAQBUHFUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-9-6-7-12(10(2)8-9)18-15(17)21-16-19-13-5-3-4-11(13)14(22)20-16/h6-8H,3-5H2,1-2H3,(H4,17,18,19,20,21,22).
What are the key properties of 1-(2,4-dimethylphenyl)-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)guanidine?
1-(2,4-dimethylphenyl)-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)guanidine has a molecular weight of 297.36 g/mol, XLogP of 1.93, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)guanidine is sourced from PubChem (CID 135645093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).