6-methyl-2-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide

C18H24N4O — CID 109333205

IUPAC6-methyl-2-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCc1cccc(Nc2nc(C)cc(C(=O)NCCC(C)C)n2)c1
InChIInChI=1S/C18H24N4O/c1-12(2)8-9-19-17(23)16-11-14(4)20-18(22-16)21-15-7-5-6-13(3)10-15/h5-7,10-12H,8-9H2,1-4H3,(H,19,23)(H,20,21,22)
InChIKeyXCSRSEADAFPJMV-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.61
Rot. Bonds6

About 6-methyl-2-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide

6-methyl-2-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide (PubChem CID 109333205) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-methyl-2-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
PubChem CID109333205
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name6-methyl-2-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCc1cccc(Nc2nc(C)cc(C(=O)NCCC(C)C)n2)c1
InChIInChI=1S/C18H24N4O/c1-12(2)8-9-19-17(23)16-11-14(4)20-18(22-16)21-15-7-5-6-13(3)10-15/h5-7,10-12H,8-9H2,1-4H3,(H,19,23)(H,20,21,22)
InChIKeyXCSRSEADAFPJMV-UHFFFAOYSA-N
XLogP3.61
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333213
2-(4-ethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333217
2-methyl-6-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846602
2-(4-tert-butylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333226
6-methyl-2-(3-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332517
6-methyl-2-(2-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333204
2-(2,3-dichloroanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333292
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109330975
6-methyl-2-(3-methylbutylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327701
6-methyl-2-(3-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109329774
6-methyl-N-(3-methylphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109334985
2-(3,5-dimethylanilino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327718

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide (CID 109333205) is 6-methyl-2-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide is Cc1cccc(Nc2nc(C)cc(C(=O)NCCC(C)C)n2)c1.
What is the InChIKey of 6-methyl-2-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The InChIKey is XCSRSEADAFPJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-12(2)8-9-19-17(23)16-11-14(4)20-18(22-16)21-15-7-5-6-13(3)10-15/h5-7,10-12H,8-9H2,1-4H3,(H,19,23)(H,20,21,22).
What are the key properties of 6-methyl-2-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide?
6-methyl-2-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109333205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).