N-butyl-2-(3,4-dimethylanilino)-N,6-dimethylpyrimidine-4-carboxamide

C19H26N4O — CID 109333654

IUPACN-butyl-2-(3,4-dimethylanilino)-N,6-dimethylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(C)nc(Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C19H26N4O/c1-6-7-10-23(5)18(24)17-12-15(4)20-19(22-17)21-16-9-8-13(2)14(3)11-16/h8-9,11-12H,6-7,10H2,1-5H3,(H,20,21,22)
InChIKeyNZIZMUKIGJZANZ-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.02
Rot. Bonds6

About N-butyl-2-(3,4-dimethylanilino)-N,6-dimethylpyrimidine-4-carboxamide

N-butyl-2-(3,4-dimethylanilino)-N,6-dimethylpyrimidine-4-carboxamide (PubChem CID 109333654) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-butyl-2-(3,4-dimethylanilino)-N,6-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(3,4-dimethylanilino)-N,6-dimethylpyrimidine-4-carboxamide
PubChem CID109333654
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-butyl-2-(3,4-dimethylanilino)-N,6-dimethylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(C)nc(Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C19H26N4O/c1-6-7-10-23(5)18(24)17-12-15(4)20-19(22-17)21-16-9-8-13(2)14(3)11-16/h8-9,11-12H,6-7,10H2,1-5H3,(H,20,21,22)
InChIKeyNZIZMUKIGJZANZ-UHFFFAOYSA-N
XLogP4.02
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-4-methylanilino)-N-butyl-N,6-dimethylpyrimidine-4-carboxamide
CID 109333683
N-butyl-2-(4-ethylanilino)-N,6-dimethylpyrimidine-4-carboxamide
CID 109333659
N-butyl-6-(3,4-dimethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109354751
N-butyl-2-(2,4-dichloroanilino)-N,6-dimethylpyrimidine-4-carboxamide
CID 109333730
N-butyl-N,6-dimethyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330364
N-butyl-N,6-dimethyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320873
N-butyl-N,6-dimethyl-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109333690
ethyl 2-[[4-[butyl(methyl)carbamoyl]-6-methylpyrimidin-2-yl]amino]benzoate
CID 109333738
methyl 2-(3,4-dimethylanilino)-6-methylpyrimidine-4-carboxylate
CID 71689122
N-butyl-2-[2-(4-fluorophenyl)ethylamino]-N,6-dimethylpyrimidine-4-carboxamide
CID 109330806
N-butyl-2-[2-(4-methoxyphenoxy)ethylamino]-N,6-dimethylpyrimidine-4-carboxamide
CID 109332567
2-(3,4-dimethylanilino)-N-(2-methoxyethyl)-6-methylpyrimidine-4-carboxamide
CID 109323755

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3,4-dimethylanilino)-N,6-dimethylpyrimidine-4-carboxamide?
The IUPAC name of N-butyl-2-(3,4-dimethylanilino)-N,6-dimethylpyrimidine-4-carboxamide (CID 109333654) is N-butyl-2-(3,4-dimethylanilino)-N,6-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-2-(3,4-dimethylanilino)-N,6-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-2-(3,4-dimethylanilino)-N,6-dimethylpyrimidine-4-carboxamide is CCCCN(C)C(=O)c1cc(C)nc(Nc2ccc(C)c(C)c2)n1.
What is the InChIKey of N-butyl-2-(3,4-dimethylanilino)-N,6-dimethylpyrimidine-4-carboxamide?
The InChIKey is NZIZMUKIGJZANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-6-7-10-23(5)18(24)17-12-15(4)20-19(22-17)21-16-9-8-13(2)14(3)11-16/h8-9,11-12H,6-7,10H2,1-5H3,(H,20,21,22).
What are the key properties of N-butyl-2-(3,4-dimethylanilino)-N,6-dimethylpyrimidine-4-carboxamide?
N-butyl-2-(3,4-dimethylanilino)-N,6-dimethylpyrimidine-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3,4-dimethylanilino)-N,6-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 109333654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).