6-[(4-chlorophenyl)methylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide

C21H19ClN4O — CID 112851859

IUPAC6-[(4-chlorophenyl)methylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
SMILESO=C(NC1CC1)c1cc(NCc2ccc(Cl)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H19ClN4O/c22-16-8-6-14(7-9-16)13-23-19-12-18(21(27)24-17-10-11-17)25-20(26-19)15-4-2-1-3-5-15/h1-9,12,17H,10-11,13H2,(H,24,27)(H,23,25,26)
InChIKeyAWMZIUGRISQEQL-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.30
Rot. Bonds6

About 6-[(4-chlorophenyl)methylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide

6-[(4-chlorophenyl)methylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide (PubChem CID 112851859) has the molecular formula C21H19ClN4O and a molecular weight of 378.86 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
PubChem CID112851859
Molecular FormulaC21H19ClN4O
Molecular Weight378.86 g/mol
Exact Mass378.12
IUPAC Name6-[(4-chlorophenyl)methylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
SMILESO=C(NC1CC1)c1cc(NCc2ccc(Cl)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H19ClN4O/c22-16-8-6-14(7-9-16)13-23-19-12-18(21(27)24-17-10-11-17)25-20(26-19)15-4-2-1-3-5-15/h1-9,12,17H,10-11,13H2,(H,24,27)(H,23,25,26)
InChIKeyAWMZIUGRISQEQL-UHFFFAOYSA-N
XLogP4.30
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(benzylamino)-N-cyclopentyl-2-phenylpyrimidine-4-carboxamide
CID 112852853
6-[2-(3-chlorophenyl)ethylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851893
6-[(4-chlorophenyl)methylamino]-N-cyclopropyl-2-methylpyrimidine-4-carboxamide
CID 109360992
N-cyclopropyl-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 112851864
N-cyclopropyl-6-[2-(4-fluorophenyl)ethylamino]-2-phenylpyrimidine-4-carboxamide
CID 112851870
N-[(4-chlorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853114
N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852793
N-benzyl-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112851716
6-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112851723
6-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopropyl-2-phenylpyrimidine-4,6-diamine
CID 112879476
N-cyclopentyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide
CID 112852847
N-tert-butyl-6-[(4-methylphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853999

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-[(4-chlorophenyl)methylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide (CID 112851859) is 6-[(4-chlorophenyl)methylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(4-chlorophenyl)methylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[(4-chlorophenyl)methylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide is O=C(NC1CC1)c1cc(NCc2ccc(Cl)cc2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-[(4-chlorophenyl)methylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide?
The InChIKey is AWMZIUGRISQEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O/c22-16-8-6-14(7-9-16)13-23-19-12-18(21(27)24-17-10-11-17)25-20(26-19)15-4-2-1-3-5-15/h1-9,12,17H,10-11,13H2,(H,24,27)(H,23,25,26).
What are the key properties of 6-[(4-chlorophenyl)methylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide?
6-[(4-chlorophenyl)methylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide has a molecular weight of 378.86 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112851859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).