6-methyl-2-(3-methylbutylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide

C19H26N4O — CID 109327701

IUPAC6-methyl-2-(3-methylbutylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1cccc(CNC(=O)c2cc(C)nc(NCCC(C)C)n2)c1
InChIInChI=1S/C19H26N4O/c1-13(2)8-9-20-19-22-15(4)11-17(23-19)18(24)21-12-16-7-5-6-14(3)10-16/h5-7,10-11,13H,8-9,12H2,1-4H3,(H,21,24)(H,20,22,23)
InChIKeyACTPYEFJHHOHSW-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.48
Rot. Bonds7

About 6-methyl-2-(3-methylbutylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide

6-methyl-2-(3-methylbutylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109327701) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 6-methyl-2-(3-methylbutylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-(3-methylbutylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109327701
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name6-methyl-2-(3-methylbutylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1cccc(CNC(=O)c2cc(C)nc(NCCC(C)C)n2)c1
InChIInChI=1S/C19H26N4O/c1-13(2)8-9-20-19-22-15(4)11-17(23-19)18(24)21-12-16-7-5-6-14(3)10-16/h5-7,10-11,13H,8-9,12H2,1-4H3,(H,21,24)(H,20,22,23)
InChIKeyACTPYEFJHHOHSW-UHFFFAOYSA-N
XLogP3.48
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109320439
N-[(4-chlorophenyl)methyl]-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109329037
N-[(2-chlorophenyl)methyl]-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109328905
6-methyl-2-(4-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327711
2-(3,5-dimethylanilino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327718
6-methyl-2-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333205
N-benzyl-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109327222
N-butyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109320680
6-methyl-N-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109327749
2-[(4-chlorophenyl)methylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109328971
2-(cyclohexylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109322632
2-(3-fluoroanilino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327761

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-methylbutylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-(3-methylbutylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109327701) is 6-methyl-2-(3-methylbutylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-(3-methylbutylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-(3-methylbutylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide is Cc1cccc(CNC(=O)c2cc(C)nc(NCCC(C)C)n2)c1.
What is the InChIKey of 6-methyl-2-(3-methylbutylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is ACTPYEFJHHOHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-13(2)8-9-20-19-22-15(4)11-17(23-19)18(24)21-12-16-7-5-6-14(3)10-16/h5-7,10-11,13H,8-9,12H2,1-4H3,(H,21,24)(H,20,22,23).
What are the key properties of 6-methyl-2-(3-methylbutylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
6-methyl-2-(3-methylbutylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-methylbutylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109327701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).