2-(3,5-dimethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide

C19H26N4O — CID 109333213

IUPAC2-(3,5-dimethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCc1cc(C)cc(Nc2nc(C)cc(C(=O)NCCC(C)C)n2)c1
InChIInChI=1S/C19H26N4O/c1-12(2)6-7-20-18(24)17-11-15(5)21-19(23-17)22-16-9-13(3)8-14(4)10-16/h8-12H,6-7H2,1-5H3,(H,20,24)(H,21,22,23)
InChIKeyWLFAOUZXEPUASK-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.92
Rot. Bonds6

About 2-(3,5-dimethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide

2-(3,5-dimethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide (PubChem CID 109333213) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(3,5-dimethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
PubChem CID109333213
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-(3,5-dimethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCc1cc(C)cc(Nc2nc(C)cc(C(=O)NCCC(C)C)n2)c1
InChIInChI=1S/C19H26N4O/c1-12(2)6-7-20-18(24)17-11-15(5)21-19(23-17)22-16-9-13(3)8-14(4)10-16/h8-12H,6-7H2,1-5H3,(H,20,24)(H,21,22,23)
InChIKeyWLFAOUZXEPUASK-UHFFFAOYSA-N
XLogP3.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333205
2-(4-ethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333217
2-(4-tert-butylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333226
6-methyl-2-(2-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333204
2-(tert-butylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109332607
2-(2,5-dichloroanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333289
2-(2,3-dichloroanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333292
2-amino-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 82171955
6-methyl-N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109333268
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109323436
N-butyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109320680
2-N-(3,5-dimethylphenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112925161

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3,5-dimethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide (CID 109333213) is 2-(3,5-dimethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3,5-dimethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3,5-dimethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide is Cc1cc(C)cc(Nc2nc(C)cc(C(=O)NCCC(C)C)n2)c1.
What is the InChIKey of 2-(3,5-dimethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The InChIKey is WLFAOUZXEPUASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-12(2)6-7-20-18(24)17-11-15(5)21-19(23-17)22-16-9-13(3)8-14(4)10-16/h8-12H,6-7H2,1-5H3,(H,20,24)(H,21,22,23).
What are the key properties of 2-(3,5-dimethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
2-(3,5-dimethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109333213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).