6-(benzylamino)-N-cyclopentyl-2-phenylpyrimidine-4-carboxamide

C23H24N4O — CID 112852853

IUPAC6-(benzylamino)-N-cyclopentyl-2-phenylpyrimidine-4-carboxamide
SMILESO=C(NC1CCCC1)c1cc(NCc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H24N4O/c28-23(25-19-13-7-8-14-19)20-15-21(24-16-17-9-3-1-4-10-17)27-22(26-20)18-11-5-2-6-12-18/h1-6,9-12,15,19H,7-8,13-14,16H2,(H,25,28)(H,24,26,27)
InChIKeyQCKRBQHXEOJIQU-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.43
Rot. Bonds6

About 6-(benzylamino)-N-cyclopentyl-2-phenylpyrimidine-4-carboxamide

6-(benzylamino)-N-cyclopentyl-2-phenylpyrimidine-4-carboxamide (PubChem CID 112852853) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 6-(benzylamino)-N-cyclopentyl-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(benzylamino)-N-cyclopentyl-2-phenylpyrimidine-4-carboxamide
PubChem CID112852853
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name6-(benzylamino)-N-cyclopentyl-2-phenylpyrimidine-4-carboxamide
SMILESO=C(NC1CCCC1)c1cc(NCc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H24N4O/c28-23(25-19-13-7-8-14-19)20-15-21(24-16-17-9-3-1-4-10-17)27-22(26-20)18-11-5-2-6-12-18/h1-6,9-12,15,19H,7-8,13-14,16H2,(H,25,28)(H,24,26,27)
InChIKeyQCKRBQHXEOJIQU-UHFFFAOYSA-N
XLogP4.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-chlorophenyl)methylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851859
N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852793
N-cyclopropyl-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 112851864
6-(tert-butylamino)-N-cyclohexyl-2-phenylpyrimidine-4-carboxamide
CID 112853019
N-cyclopentyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide
CID 112852847
6-[2-(3-chlorophenyl)ethylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851893
6-(cyclopentylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112852816
N-cyclopropyl-6-[2-(4-fluorophenyl)ethylamino]-2-phenylpyrimidine-4-carboxamide
CID 112851870
N-benzyl-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112851716
6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853200
6-(cyclopentylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 112852815
N-cycloheptyl-2-methyl-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368740

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-N-cyclopentyl-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(benzylamino)-N-cyclopentyl-2-phenylpyrimidine-4-carboxamide (CID 112852853) is 6-(benzylamino)-N-cyclopentyl-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(benzylamino)-N-cyclopentyl-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(benzylamino)-N-cyclopentyl-2-phenylpyrimidine-4-carboxamide is O=C(NC1CCCC1)c1cc(NCc2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(benzylamino)-N-cyclopentyl-2-phenylpyrimidine-4-carboxamide?
The InChIKey is QCKRBQHXEOJIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c28-23(25-19-13-7-8-14-19)20-15-21(24-16-17-9-3-1-4-10-17)27-22(26-20)18-11-5-2-6-12-18/h1-6,9-12,15,19H,7-8,13-14,16H2,(H,25,28)(H,24,26,27).
What are the key properties of 6-(benzylamino)-N-cyclopentyl-2-phenylpyrimidine-4-carboxamide?
6-(benzylamino)-N-cyclopentyl-2-phenylpyrimidine-4-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-N-cyclopentyl-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112852853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).