2-[(4-chlorophenyl)methylamino]-4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide

C24H31ClN6O2 — CID 71552782

IUPAC2-[(4-chlorophenyl)methylamino]-4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cnc(NCc2ccc(Cl)cc2)nc1NC1CCCC1
InChIInChI=1S/C24H31ClN6O2/c25-18-10-8-17(9-11-18)15-27-24-28-16-20(22(30-24)29-19-5-1-2-6-19)23(33)26-12-4-14-31-13-3-7-21(31)32/h8-11,16,19H,1-7,12-15H2,(H,26,33)(H2,27,28,29,30)
InChIKeyMLEXRNRXGXYYQP-UHFFFAOYSA-N
MW471.01 g/mol
LogP3.84
Rot. Bonds10

About 2-[(4-chlorophenyl)methylamino]-4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide

2-[(4-chlorophenyl)methylamino]-4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide (PubChem CID 71552782) has the molecular formula C24H31ClN6O2 and a molecular weight of 471.01 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylamino]-4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylamino]-4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
PubChem CID71552782
Molecular FormulaC24H31ClN6O2
Molecular Weight471.01 g/mol
Exact Mass470.22
IUPAC Name2-[(4-chlorophenyl)methylamino]-4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cnc(NCc2ccc(Cl)cc2)nc1NC1CCCC1
InChIInChI=1S/C24H31ClN6O2/c25-18-10-8-17(9-11-18)15-27-24-28-16-20(22(30-24)29-19-5-1-2-6-19)23(33)26-12-4-14-31-13-3-7-21(31)32/h8-11,16,19H,1-7,12-15H2,(H,26,33)(H2,27,28,29,30)
InChIKeyMLEXRNRXGXYYQP-UHFFFAOYSA-N
XLogP3.84
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.01
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(4-chlorophenyl)methylamino]-4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide 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

4-(cyclopentylamino)-2-[(2,5-dichlorophenyl)methylamino]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide
CID 71552942
2-[[2,5-bis(fluoranyl)phenyl]methylamino]-4-(cyclopentylamino)-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
CID 155908704
N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442114
4-chloro-N-((cis)-4-(4-(dimethylamino)-5-methylpyrimidin-2-ylamino)cyclohexyl)benzamide
CID 23027411
(S)-4-chloro-N-ethyl-N-(2-(1-phenylethylamino)pyrimidin-4-yl)benzamide
CID 46886532
4-(Cyclopentylamino)-N-[3-(2-Oxopyrrolidin-1-Yl)propyl]-2-{[2-(Pyridin-4-Yl)ethyl]amino}pyrimidine-5-Carboxamide
CID 71552535
N-[(2-chlorophenyl)methyl]-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 16028148
N-[(4-chlorophenyl)methyl]-1-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-2-piperidineacetamide
CID 16116173
(R)-(4-(4-(2,4-dichlorobenzylamino)pyrimidin-2-yl)piperazin-1-yl)(pyrrolidin-2-yl)methanone
CID 44406338
4-(cyclohexylmethylamino)-2-[2-(1-methylpyrrolidin-2-yl)ethylamino]-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 45488204
N-benzyl-4-(cyclopentylamino)-2-(3-imidazol-1-ylpropylamino)pyrimidine-5-carboxamide
CID 45488210
N-benzyl-2-[3-(dimethylamino)propylamino]-4-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 45488215

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylamino]-4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(4-chlorophenyl)methylamino]-4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide (CID 71552782) is 2-[(4-chlorophenyl)methylamino]-4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylamino]-4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylamino]-4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide is O=C(NCCCN1CCCC1=O)c1cnc(NCc2ccc(Cl)cc2)nc1NC1CCCC1.
What is the InChIKey of 2-[(4-chlorophenyl)methylamino]-4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide?
The InChIKey is MLEXRNRXGXYYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN6O2/c25-18-10-8-17(9-11-18)15-27-24-28-16-20(22(30-24)29-19-5-1-2-6-19)23(33)26-12-4-14-31-13-3-7-21(31)32/h8-11,16,19H,1-7,12-15H2,(H,26,33)(H2,27,28,29,30).
What are the key properties of 2-[(4-chlorophenyl)methylamino]-4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide?
2-[(4-chlorophenyl)methylamino]-4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide has a molecular weight of 471.01 g/mol, XLogP of 3.84, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylamino]-4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 71552782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).