2-(butan-2-ylamino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide

C19H26N4O — CID 109321282

IUPAC2-(butan-2-ylamino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
SMILESCCC(C)Nc1nc(C)cc(C(=O)Nc2c(C)cc(C)cc2C)n1
InChIInChI=1S/C19H26N4O/c1-7-14(5)20-19-21-15(6)10-16(22-19)18(24)23-17-12(3)8-11(2)9-13(17)4/h8-10,14H,7H2,1-6H3,(H,23,24)(H,20,21,22)
InChIKeyCJCVQMMOVKMWPQ-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.17
Rot. Bonds5

About 2-(butan-2-ylamino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide

2-(butan-2-ylamino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109321282) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
PubChem CID109321282
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-(butan-2-ylamino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
SMILESCCC(C)Nc1nc(C)cc(C(=O)Nc2c(C)cc(C)cc2C)n1
InChIInChI=1S/C19H26N4O/c1-7-14(5)20-19-21-15(6)10-16(22-19)18(24)23-17-12(3)8-11(2)9-13(17)4/h8-10,14H,7H2,1-6H3,(H,23,24)(H,20,21,22)
InChIKeyCJCVQMMOVKMWPQ-UHFFFAOYSA-N
XLogP4.17
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109321297
2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109321274
6-methyl-2-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109333110
2-(butan-2-ylamino)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109321368
2-(butan-2-ylamino)-N-(4-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109321277
2-(butan-2-ylamino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319063
N-(4-acetylphenyl)-2-(butan-2-ylamino)-6-methylpyrimidine-4-carboxamide
CID 109321317
2-(butan-2-ylamino)-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109321315
methyl 3-[[2-(butan-2-ylamino)-6-methylpyrimidine-4-carbonyl]amino]-4-chlorobenzoate
CID 109321323
2-(2,6-difluoroanilino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109336629
azepan-1-yl-[2-(butan-2-ylamino)-6-methylpyrimidin-4-yl]methanone
CID 109321261
2-[(2-fluorophenyl)methylamino]-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109328473

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(butan-2-ylamino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide (CID 109321282) is 2-(butan-2-ylamino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(butan-2-ylamino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(butan-2-ylamino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide is CCC(C)Nc1nc(C)cc(C(=O)Nc2c(C)cc(C)cc2C)n1.
What is the InChIKey of 2-(butan-2-ylamino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is CJCVQMMOVKMWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-7-14(5)20-19-21-15(6)10-16(22-19)18(24)23-17-12(3)8-11(2)9-13(17)4/h8-10,14H,7H2,1-6H3,(H,23,24)(H,20,21,22).
What are the key properties of 2-(butan-2-ylamino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide?
2-(butan-2-ylamino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109321282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).