2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide

C18H24N4O — CID 109321274

IUPAC2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCC(C)Nc1nc(C)cc(C(=O)Nc2c(C)cccc2C)n1
InChIInChI=1S/C18H24N4O/c1-6-13(4)19-18-20-14(5)10-15(21-18)17(23)22-16-11(2)8-7-9-12(16)3/h7-10,13H,6H2,1-5H3,(H,22,23)(H,19,20,21)
InChIKeyJZPNQIPBMMLUHV-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.86
Rot. Bonds5

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

2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109321274) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109321274
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCC(C)Nc1nc(C)cc(C(=O)Nc2c(C)cccc2C)n1
InChIInChI=1S/C18H24N4O/c1-6-13(4)19-18-20-14(5)10-15(21-18)17(23)22-16-11(2)8-7-9-12(16)3/h7-10,13H,6H2,1-5H3,(H,22,23)(H,19,20,21)
InChIKeyJZPNQIPBMMLUHV-UHFFFAOYSA-N
XLogP3.86
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butan-2-ylamino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109321282
2-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109321297
2-(butan-2-ylamino)-N-(4-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109321277
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)-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
N-(2,6-dimethylphenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327827
2-(cyclopropylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109319743
N-(2-ethyl-6-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318967
methyl 3-[[2-(butan-2-ylamino)-6-methylpyrimidine-4-carbonyl]amino]-4-chlorobenzoate
CID 109321323
N-butan-2-yl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109321464

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide (CID 109321274) is 2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide is CCC(C)Nc1nc(C)cc(C(=O)Nc2c(C)cccc2C)n1.
What is the InChIKey of 2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is JZPNQIPBMMLUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-6-13(4)19-18-20-14(5)10-15(21-18)17(23)22-16-11(2)8-7-9-12(16)3/h7-10,13H,6H2,1-5H3,(H,22,23)(H,19,20,21).
What are the key properties of 2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.86, 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)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109321274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).