N-butyl-2-(4-ethylanilino)-N,6-dimethylpyrimidine-4-carboxamide

C19H26N4O — CID 109333659

IUPACN-butyl-2-(4-ethylanilino)-N,6-dimethylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(C)nc(Nc2ccc(CC)cc2)n1
InChIInChI=1S/C19H26N4O/c1-5-7-12-23(4)18(24)17-13-14(3)20-19(22-17)21-16-10-8-15(6-2)9-11-16/h8-11,13H,5-7,12H2,1-4H3,(H,20,21,22)
InChIKeyPJJOYZUILIXNPU-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.96
Rot. Bonds7

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

N-butyl-2-(4-ethylanilino)-N,6-dimethylpyrimidine-4-carboxamide (PubChem CID 109333659) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-butyl-2-(4-ethylanilino)-N,6-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(4-ethylanilino)-N,6-dimethylpyrimidine-4-carboxamide
PubChem CID109333659
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-butyl-2-(4-ethylanilino)-N,6-dimethylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(C)nc(Nc2ccc(CC)cc2)n1
InChIInChI=1S/C19H26N4O/c1-5-7-12-23(4)18(24)17-13-14(3)20-19(22-17)21-16-10-8-15(6-2)9-11-16/h8-11,13H,5-7,12H2,1-4H3,(H,20,21,22)
InChIKeyPJJOYZUILIXNPU-UHFFFAOYSA-N
XLogP3.96
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-(3,4-dimethylanilino)-N,6-dimethylpyrimidine-4-carboxamide
CID 109333654
2-(3-bromo-4-methylanilino)-N-butyl-N,6-dimethylpyrimidine-4-carboxamide
CID 109333683
N,N-diethyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109332354
2-(4-ethylanilino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319158
N-butyl-2-(2,4-dichloroanilino)-N,6-dimethylpyrimidine-4-carboxamide
CID 109333730
ethyl 2-[[4-[butyl(methyl)carbamoyl]-6-methylpyrimidin-2-yl]amino]benzoate
CID 109333738
N-butyl-2-[2-(4-fluorophenyl)ethylamino]-N,6-dimethylpyrimidine-4-carboxamide
CID 109330806
N-butyl-6-(4-ethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109354756
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-[4-(dimethylamino)phenyl]-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336288
N-butyl-N,6-dimethyl-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109333690

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-ethylanilino)-N,6-dimethylpyrimidine-4-carboxamide?
The IUPAC name of N-butyl-2-(4-ethylanilino)-N,6-dimethylpyrimidine-4-carboxamide (CID 109333659) is N-butyl-2-(4-ethylanilino)-N,6-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-2-(4-ethylanilino)-N,6-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-2-(4-ethylanilino)-N,6-dimethylpyrimidine-4-carboxamide is CCCCN(C)C(=O)c1cc(C)nc(Nc2ccc(CC)cc2)n1.
What is the InChIKey of N-butyl-2-(4-ethylanilino)-N,6-dimethylpyrimidine-4-carboxamide?
The InChIKey is PJJOYZUILIXNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-5-7-12-23(4)18(24)17-13-14(3)20-19(22-17)21-16-10-8-15(6-2)9-11-16/h8-11,13H,5-7,12H2,1-4H3,(H,20,21,22).
What are the key properties of N-butyl-2-(4-ethylanilino)-N,6-dimethylpyrimidine-4-carboxamide?
N-butyl-2-(4-ethylanilino)-N,6-dimethylpyrimidine-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-ethylanilino)-N,6-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 109333659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).