2-[(4-chlorophenyl)methylamino]-4-(cyclohexylmethylamino)-N-cyclopentylpyrimidine-5-carboxamide

C24H32ClN5O — CID 138377358

IUPAC2-[(4-chlorophenyl)methylamino]-4-(cyclohexylmethylamino)-N-cyclopentylpyrimidine-5-carboxamide
SMILESO=C(NC1CCCC1)c1cnc(NCc2ccc(Cl)cc2)nc1NCC1CCCCC1
InChIInChI=1S/C24H32ClN5O/c25-19-12-10-18(11-13-19)15-27-24-28-16-21(23(31)29-20-8-4-5-9-20)22(30-24)26-14-17-6-2-1-3-7-17/h10-13,16-17,20H,1-9,14-15H2,(H,29,31)(H2,26,27,28,30)
InChIKeyDKEWDDFPQDWZSS-UHFFFAOYSA-N
MW442.01 g/mol
LogP5.41
Rot. Bonds8

About 2-[(4-chlorophenyl)methylamino]-4-(cyclohexylmethylamino)-N-cyclopentylpyrimidine-5-carboxamide

2-[(4-chlorophenyl)methylamino]-4-(cyclohexylmethylamino)-N-cyclopentylpyrimidine-5-carboxamide (PubChem CID 138377358) has the molecular formula C24H32ClN5O and a molecular weight of 442.01 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylamino]-4-(cyclohexylmethylamino)-N-cyclopentylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylamino]-4-(cyclohexylmethylamino)-N-cyclopentylpyrimidine-5-carboxamide
PubChem CID138377358
Molecular FormulaC24H32ClN5O
Molecular Weight442.01 g/mol
Exact Mass441.23
IUPAC Name2-[(4-chlorophenyl)methylamino]-4-(cyclohexylmethylamino)-N-cyclopentylpyrimidine-5-carboxamide
SMILESO=C(NC1CCCC1)c1cnc(NCc2ccc(Cl)cc2)nc1NCC1CCCCC1
InChIInChI=1S/C24H32ClN5O/c25-19-12-10-18(11-13-19)15-27-24-28-16-21(23(31)29-20-8-4-5-9-20)22(30-24)26-14-17-6-2-1-3-7-17/h10-13,16-17,20H,1-9,14-15H2,(H,29,31)(H2,26,27,28,30)
InChIKeyDKEWDDFPQDWZSS-UHFFFAOYSA-N
XLogP5.41
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.01
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-4-(cyclohexylamino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 16108900
(7s)-7-Amino-N-[(4-Fluorophenyl)methyl]-8-Oxo-2,9,16,18,21-Pentaazabicyclo[15.3.1]henicosa-1(21),17,19-Triene-20-Carboxamide
CID 74538669
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
2-(3-Chlorophenylamino)-4-trifluoromethylpyrimidine-5-carboxylic acidcyclopentylmethylamide
CID 10318708
2-(3-chlorophenylamino)-4-trifluoromethylpyrimidine-5-carboxylic acid N-(cyclohexylmethyl)amide
CID 10364379
2-(3-chloro-phenylamino)-4-trifluoromethyl-pyrimidine-5-carboxylic acid N-(4-chlorobenzyl)amide
CID 10478467
2-Phenyl-pyrimidine-5-carboxylic acid benzylamide
CID 16043211
4-chloro-N-((cis)-4-(4-(dimethylamino)-5-methylpyrimidin-2-ylamino)cyclohexyl)benzamide
CID 23027411
3,5-dichloro-N-(((cis)-4-(4-(dimethylamino)-5-methylpyrimidin-2-ylamino)cyclohexyl)methyl)benzamide
CID 45485063
(2-(4-Chlorophenylamino)pyrimidin-5-yl)(3-methylpiperidin-1-yl)methanone
CID 46226043

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylamino]-4-(cyclohexylmethylamino)-N-cyclopentylpyrimidine-5-carboxamide?
The IUPAC name of 2-[(4-chlorophenyl)methylamino]-4-(cyclohexylmethylamino)-N-cyclopentylpyrimidine-5-carboxamide (CID 138377358) is 2-[(4-chlorophenyl)methylamino]-4-(cyclohexylmethylamino)-N-cyclopentylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylamino]-4-(cyclohexylmethylamino)-N-cyclopentylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylamino]-4-(cyclohexylmethylamino)-N-cyclopentylpyrimidine-5-carboxamide is O=C(NC1CCCC1)c1cnc(NCc2ccc(Cl)cc2)nc1NCC1CCCCC1.
What is the InChIKey of 2-[(4-chlorophenyl)methylamino]-4-(cyclohexylmethylamino)-N-cyclopentylpyrimidine-5-carboxamide?
The InChIKey is DKEWDDFPQDWZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN5O/c25-19-12-10-18(11-13-19)15-27-24-28-16-21(23(31)29-20-8-4-5-9-20)22(30-24)26-14-17-6-2-1-3-7-17/h10-13,16-17,20H,1-9,14-15H2,(H,29,31)(H2,26,27,28,30).
What are the key properties of 2-[(4-chlorophenyl)methylamino]-4-(cyclohexylmethylamino)-N-cyclopentylpyrimidine-5-carboxamide?
2-[(4-chlorophenyl)methylamino]-4-(cyclohexylmethylamino)-N-cyclopentylpyrimidine-5-carboxamide has a molecular weight of 442.01 g/mol, XLogP of 5.41, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylamino]-4-(cyclohexylmethylamino)-N-cyclopentylpyrimidine-5-carboxamide is sourced from PubChem (CID 138377358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).