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

C20H26ClN5O — CID 138377248

IUPAC2-[(4-chlorophenyl)methylamino]-4-(cyclohexylmethylamino)-N-methylpyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(NCc2ccc(Cl)cc2)nc1NCC1CCCCC1
InChIInChI=1S/C20H26ClN5O/c1-22-19(27)17-13-25-20(24-12-15-7-9-16(21)10-8-15)26-18(17)23-11-14-5-3-2-4-6-14/h7-10,13-14H,2-6,11-12H2,1H3,(H,22,27)(H2,23,24,25,26)
InChIKeyISKMOYBZNNSWOT-UHFFFAOYSA-N
MW387.92 g/mol
LogP4.09
Rot. Bonds7

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

2-[(4-chlorophenyl)methylamino]-4-(cyclohexylmethylamino)-N-methylpyrimidine-5-carboxamide (PubChem CID 138377248) has the molecular formula C20H26ClN5O and a molecular weight of 387.92 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylamino]-4-(cyclohexylmethylamino)-N-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylamino]-4-(cyclohexylmethylamino)-N-methylpyrimidine-5-carboxamide
PubChem CID138377248
Molecular FormulaC20H26ClN5O
Molecular Weight387.92 g/mol
Exact Mass387.18
IUPAC Name2-[(4-chlorophenyl)methylamino]-4-(cyclohexylmethylamino)-N-methylpyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(NCc2ccc(Cl)cc2)nc1NCC1CCCCC1
InChIInChI=1S/C20H26ClN5O/c1-22-19(27)17-13-25-20(24-12-15-7-9-16(21)10-8-15)26-18(17)23-11-14-5-3-2-4-6-14/h7-10,13-14H,2-6,11-12H2,1H3,(H,22,27)(H2,23,24,25,26)
InChIKeyISKMOYBZNNSWOT-UHFFFAOYSA-N
XLogP4.09
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.92
LogP ≤ 54.09
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
6-(2,6-dichlorophenyl)-2-(ethylamino)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327869
6-(2,6-dichlorophenyl)-2-{[3-(diethylamino)propyl]amino}-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327876
2-(butylamino)-6-(2,6-dichlorophenyl)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327871
N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442114
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
(S)-2-chloro-N-ethyl-N-(2-(1-phenylethylamino)pyrimidin-4-yl)benzamide
CID 46886506

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylamino]-4-(cyclohexylmethylamino)-N-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-[(4-chlorophenyl)methylamino]-4-(cyclohexylmethylamino)-N-methylpyrimidine-5-carboxamide (CID 138377248) is 2-[(4-chlorophenyl)methylamino]-4-(cyclohexylmethylamino)-N-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylamino]-4-(cyclohexylmethylamino)-N-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylamino]-4-(cyclohexylmethylamino)-N-methylpyrimidine-5-carboxamide is CNC(=O)c1cnc(NCc2ccc(Cl)cc2)nc1NCC1CCCCC1.
What is the InChIKey of 2-[(4-chlorophenyl)methylamino]-4-(cyclohexylmethylamino)-N-methylpyrimidine-5-carboxamide?
The InChIKey is ISKMOYBZNNSWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN5O/c1-22-19(27)17-13-25-20(24-12-15-7-9-16(21)10-8-15)26-18(17)23-11-14-5-3-2-4-6-14/h7-10,13-14H,2-6,11-12H2,1H3,(H,22,27)(H2,23,24,25,26).
What are the key properties of 2-[(4-chlorophenyl)methylamino]-4-(cyclohexylmethylamino)-N-methylpyrimidine-5-carboxamide?
2-[(4-chlorophenyl)methylamino]-4-(cyclohexylmethylamino)-N-methylpyrimidine-5-carboxamide has a molecular weight of 387.92 g/mol, XLogP of 4.09, 7 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-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 138377248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).