N-(4-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide

C20H19FN4O — CID 109369187

IUPACN-(4-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NC(C)c2ccccc2)cc(C(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C20H19FN4O/c1-13(15-6-4-3-5-7-15)22-19-12-18(23-14(2)24-19)20(26)25-17-10-8-16(21)9-11-17/h3-13H,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyKQCIFFSKNCYTRF-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.35
Rot. Bonds5

About N-(4-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide

N-(4-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide (PubChem CID 109369187) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
PubChem CID109369187
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC NameN-(4-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NC(C)c2ccccc2)cc(C(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C20H19FN4O/c1-13(15-6-4-3-5-7-15)22-19-12-18(23-14(2)24-19)20(26)25-17-10-8-16(21)9-11-17/h3-13H,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyKQCIFFSKNCYTRF-UHFFFAOYSA-N
XLogP4.35
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-phenyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109369164
N-(3-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109369217
N-(3-acetylphenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109369209
6-(butan-2-ylamino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109362419
2-methyl-N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360462
6-(4-acetamidoanilino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109369314
6-(4-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849931
6-[(4-fluorophenyl)methylamino]-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109369233
N-(4-fluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110858651
6-(3-chloro-4-fluoroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849936
N-(3,4-difluorophenyl)-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360567
6-(3-acetamidoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849955

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide (CID 109369187) is N-(4-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide is Cc1nc(NC(C)c2ccccc2)cc(C(=O)Nc2ccc(F)cc2)n1.
What is the InChIKey of N-(4-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide?
The InChIKey is KQCIFFSKNCYTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-13(15-6-4-3-5-7-15)22-19-12-18(23-14(2)24-19)20(26)25-17-10-8-16(21)9-11-17/h3-13H,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(4-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide?
N-(4-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109369187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).