6-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide

C21H19FN4O — CID 112851723

IUPAC6-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(NC2CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H19FN4O/c22-16-8-6-14(7-9-16)13-23-21(27)18-12-19(24-17-10-11-17)26-20(25-18)15-4-2-1-3-5-15/h1-9,12,17H,10-11,13H2,(H,23,27)(H,24,25,26)
InChIKeyUCUHJDYXOWQSLK-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.79
Rot. Bonds6

About 6-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide

6-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide (PubChem CID 112851723) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is 6-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide
PubChem CID112851723
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name6-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(NC2CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H19FN4O/c22-16-8-6-14(7-9-16)13-23-21(27)18-12-19(24-17-10-11-17)26-20(25-18)15-4-2-1-3-5-15/h1-9,12,17H,10-11,13H2,(H,23,27)(H,24,25,26)
InChIKeyUCUHJDYXOWQSLK-UHFFFAOYSA-N
XLogP3.79
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112851716
6-(cyclopropylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 112851732
6-(cyclopentylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 112852815
N-[(4-fluorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853112
N-cyclopropyl-6-[2-(4-fluorophenyl)ethylamino]-2-phenylpyrimidine-4-carboxamide
CID 112851870
6-(cyclopentylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112852816
N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852793
6-(cyclopropylamino)-2-phenyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 112851824
6-[(4-chlorophenyl)methylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851859
6-(3-fluoroanilino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 112854155
6-(cyclopropylamino)-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4-carboxamide
CID 112851709
6-(tert-butylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112854002

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide (CID 112851723) is 6-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide is O=C(NCc1ccc(F)cc1)c1cc(NC2CC2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide?
The InChIKey is UCUHJDYXOWQSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c22-16-8-6-14(7-9-16)13-23-21(27)18-12-19(24-17-10-11-17)26-20(25-18)15-4-2-1-3-5-15/h1-9,12,17H,10-11,13H2,(H,23,27)(H,24,25,26).
What are the key properties of 6-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide?
6-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112851723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).