6-[butyl(methyl)amino]-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide

C18H24N4O — CID 112846922

IUPAC6-[butyl(methyl)amino]-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
SMILESCCCCN(C)c1cc(C(=O)Nc2ccccc2C)nc(C)n1
InChIInChI=1S/C18H24N4O/c1-5-6-11-22(4)17-12-16(19-14(3)20-17)18(23)21-15-10-8-7-9-13(15)2/h7-10,12H,5-6,11H2,1-4H3,(H,21,23)
InChIKeyHJXQZDITHLHBRY-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.58
Rot. Bonds6

About 6-[butyl(methyl)amino]-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide

6-[butyl(methyl)amino]-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 112846922) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-[butyl(methyl)amino]-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[butyl(methyl)amino]-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
PubChem CID112846922
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name6-[butyl(methyl)amino]-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
SMILESCCCCN(C)c1cc(C(=O)Nc2ccccc2C)nc(C)n1
InChIInChI=1S/C18H24N4O/c1-5-6-11-22(4)17-12-16(19-14(3)20-17)18(23)21-15-10-8-7-9-13(15)2/h7-10,12H,5-6,11H2,1-4H3,(H,21,23)
InChIKeyHJXQZDITHLHBRY-UHFFFAOYSA-N
XLogP3.58
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[butyl(methyl)amino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112846997
6-[butyl(methyl)amino]-N-(2,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112846999
6-[butyl(methyl)amino]-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 112846986
6-[butyl(methyl)amino]-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112846981
6-[butyl(methyl)amino]-N-(2,4-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112846968
N-(2,3-dimethylphenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide
CID 112847488
6-[benzyl(methyl)amino]-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369384
6-N-butyl-6-N-methyl-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109099533
6-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371833
6-[benzyl(methyl)amino]-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369385
6-[benzyl(methyl)amino]-N-(2-chlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109369396
6-[butyl(methyl)amino]-N-cycloheptyl-2-methylpyrimidine-4-carboxamide
CID 109373972

Frequently Asked Questions

What is the IUPAC name of 6-[butyl(methyl)amino]-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[butyl(methyl)amino]-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide (CID 112846922) is 6-[butyl(methyl)amino]-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[butyl(methyl)amino]-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[butyl(methyl)amino]-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide is CCCCN(C)c1cc(C(=O)Nc2ccccc2C)nc(C)n1.
What is the InChIKey of 6-[butyl(methyl)amino]-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is HJXQZDITHLHBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-5-6-11-22(4)17-12-16(19-14(3)20-17)18(23)21-15-10-8-7-9-13(15)2/h7-10,12H,5-6,11H2,1-4H3,(H,21,23).
What are the key properties of 6-[butyl(methyl)amino]-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide?
6-[butyl(methyl)amino]-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butyl(methyl)amino]-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 112846922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).