6-[benzyl(methyl)amino]-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide

C20H19FN4O — CID 109369394

IUPAC6-[benzyl(methyl)amino]-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccccc2F)cc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C20H19FN4O/c1-14-22-18(20(26)24-17-11-7-6-10-16(17)21)12-19(23-14)25(2)13-15-8-4-3-5-9-15/h3-12H,13H2,1-2H3,(H,24,26)
InChIKeyAVDBDJDBCVVTSI-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.81
Rot. Bonds5

About 6-[benzyl(methyl)amino]-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide

6-[benzyl(methyl)amino]-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 109369394) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 6-[benzyl(methyl)amino]-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[benzyl(methyl)amino]-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID109369394
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name6-[benzyl(methyl)amino]-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccccc2F)cc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C20H19FN4O/c1-14-22-18(20(26)24-17-11-7-6-10-16(17)21)12-19(23-14)25(2)13-15-8-4-3-5-9-15/h3-12H,13H2,1-2H3,(H,24,26)
InChIKeyAVDBDJDBCVVTSI-UHFFFAOYSA-N
XLogP3.81
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[benzyl(methyl)amino]-N-(2-chlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109369396
6-[benzyl(methyl)amino]-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369385
6-[benzyl(methyl)amino]-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369384
6-[benzyl(methyl)amino]-N-(4-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369386
6-[benzyl(methyl)amino]-2-methylpyrimidine-4-carboxylic acid
CID 82299929
N-(1,3-benzodioxol-5-yl)-6-[benzyl(methyl)amino]-2-methylpyrimidine-4-carboxamide
CID 109369426
6-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369404
6-[benzyl(methyl)amino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109369359
6-[butyl(methyl)amino]-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 112846922
6-[butyl(methyl)amino]-N-(2,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112846999
6-[benzyl(methyl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109347875
6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112846437

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(methyl)amino]-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-[benzyl(methyl)amino]-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide (CID 109369394) is 6-[benzyl(methyl)amino]-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[benzyl(methyl)amino]-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[benzyl(methyl)amino]-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide is Cc1nc(C(=O)Nc2ccccc2F)cc(N(C)Cc2ccccc2)n1.
What is the InChIKey of 6-[benzyl(methyl)amino]-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is AVDBDJDBCVVTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-14-22-18(20(26)24-17-11-7-6-10-16(17)21)12-19(23-14)25(2)13-15-8-4-3-5-9-15/h3-12H,13H2,1-2H3,(H,24,26).
What are the key properties of 6-[benzyl(methyl)amino]-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
6-[benzyl(methyl)amino]-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(methyl)amino]-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109369394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).