2-(butan-2-ylamino)-N-(4-ethylphenyl)-6-methylpyrimidine-4-carboxamide

C18H24N4O — CID 109321277

IUPAC2-(butan-2-ylamino)-N-(4-ethylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(C)nc(NC(C)CC)n2)cc1
InChIInChI=1S/C18H24N4O/c1-5-12(3)19-18-20-13(4)11-16(22-18)17(23)21-15-9-7-14(6-2)8-10-15/h7-12H,5-6H2,1-4H3,(H,21,23)(H,19,20,22)
InChIKeyLJWFHXZUXDZCLC-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.81
Rot. Bonds6

About 2-(butan-2-ylamino)-N-(4-ethylphenyl)-6-methylpyrimidine-4-carboxamide

2-(butan-2-ylamino)-N-(4-ethylphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109321277) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-(4-ethylphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-(4-ethylphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109321277
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-(butan-2-ylamino)-N-(4-ethylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(C)nc(NC(C)CC)n2)cc1
InChIInChI=1S/C18H24N4O/c1-5-12(3)19-18-20-13(4)11-16(22-18)17(23)21-15-9-7-14(6-2)8-10-15/h7-12H,5-6H2,1-4H3,(H,21,23)(H,19,20,22)
InChIKeyLJWFHXZUXDZCLC-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109321274
2-(4-ethylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334637
2-(butan-2-ylamino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109321282
N-[4-(dimethylamino)phenyl]-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336288
N-(4-ethylphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide
CID 109334736
2-(butan-2-ylamino)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109321368
2-(butan-2-ylamino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319063
2-(3-chloroanilino)-N-(4-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336307
N-(4-ethylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327398
methyl 3-[[2-(butan-2-ylamino)-6-methylpyrimidine-4-carbonyl]amino]-4-chlorobenzoate
CID 109321323

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-(4-ethylphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(butan-2-ylamino)-N-(4-ethylphenyl)-6-methylpyrimidine-4-carboxamide (CID 109321277) is 2-(butan-2-ylamino)-N-(4-ethylphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-(4-ethylphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-(4-ethylphenyl)-6-methylpyrimidine-4-carboxamide is CCc1ccc(NC(=O)c2cc(C)nc(NC(C)CC)n2)cc1.
What is the InChIKey of 2-(butan-2-ylamino)-N-(4-ethylphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is LJWFHXZUXDZCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-5-12(3)19-18-20-13(4)11-16(22-18)17(23)21-15-9-7-14(6-2)8-10-15/h7-12H,5-6H2,1-4H3,(H,21,23)(H,19,20,22).
What are the key properties of 2-(butan-2-ylamino)-N-(4-ethylphenyl)-6-methylpyrimidine-4-carboxamide?
2-(butan-2-ylamino)-N-(4-ethylphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-(4-ethylphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109321277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).