N-(3-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide

C20H19FN4O — CID 109369217

IUPACN-(3-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NC(C)c2ccccc2)cc(C(=O)Nc2cccc(F)c2)n1
InChIInChI=1S/C20H19FN4O/c1-13(15-7-4-3-5-8-15)22-19-12-18(23-14(2)24-19)20(26)25-17-10-6-9-16(21)11-17/h3-13H,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyNJEINSDBLGQHHQ-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.35
Rot. Bonds5

About N-(3-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide

N-(3-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide (PubChem CID 109369217) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
PubChem CID109369217
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC NameN-(3-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NC(C)c2ccccc2)cc(C(=O)Nc2cccc(F)c2)n1
InChIInChI=1S/C20H19FN4O/c1-13(15-7-4-3-5-8-15)22-19-12-18(23-14(2)24-19)20(26)25-17-10-6-9-16(21)11-17/h3-13H,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyNJEINSDBLGQHHQ-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-(4-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109369187
N-(3-acetylphenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109369209
2-methyl-N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360462
N-(3-chlorophenyl)-6-(3-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 112850112
6-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850309
N-(3-fluorophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 112849679
6-(3-acetamidoanilino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109369313
N-(3-chloro-4-methoxyphenyl)-6-(3-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 112850391
N-(3,4-difluorophenyl)-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360567
N-(3-chlorophenyl)-6-methyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109328055
6-(butan-2-ylamino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109362419

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide (CID 109369217) is N-(3-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide is Cc1nc(NC(C)c2ccccc2)cc(C(=O)Nc2cccc(F)c2)n1.
What is the InChIKey of N-(3-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide?
The InChIKey is NJEINSDBLGQHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-13(15-7-4-3-5-8-15)22-19-12-18(23-14(2)24-19)20(26)25-17-10-6-9-16(21)11-17/h3-13H,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(3-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide?
N-(3-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-(3-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109369217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).