methyl 2-(3,4-dimethylanilino)-6-methylpyrimidine-4-carboxylate

C15H17N3O2 — CID 71689122

IUPACmethyl 2-(3,4-dimethylanilino)-6-methylpyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C15H17N3O2/c1-9-5-6-12(7-10(9)2)17-15-16-11(3)8-13(18-15)14(19)20-4/h5-8H,1-4H3,(H,16,17,18)
InChIKeySBGKSPURYLAARO-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.93
Rot. Bonds3

About methyl 2-(3,4-dimethylanilino)-6-methylpyrimidine-4-carboxylate

methyl 2-(3,4-dimethylanilino)-6-methylpyrimidine-4-carboxylate (PubChem CID 71689122) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is methyl 2-(3,4-dimethylanilino)-6-methylpyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3,4-dimethylanilino)-6-methylpyrimidine-4-carboxylate
PubChem CID71689122
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Namemethyl 2-(3,4-dimethylanilino)-6-methylpyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C15H17N3O2/c1-9-5-6-12(7-10(9)2)17-15-16-11(3)8-13(18-15)14(19)20-4/h5-8H,1-4H3,(H,16,17,18)
InChIKeySBGKSPURYLAARO-UHFFFAOYSA-N
XLogP2.93
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(4-acetamidoanilino)-6-methylpyrimidine-4-carboxylate
CID 71689112
2-(3,4-dimethylanilino)-N-(2-methoxyethyl)-6-methylpyrimidine-4-carboxamide
CID 109323755
N-butyl-2-(3,4-dimethylanilino)-N,6-dimethylpyrimidine-4-carboxamide
CID 109333654
3,4-dihydro-1H-isoquinolin-2-yl-[2-(3,4-dimethylanilino)-6-methylpyrimidin-4-yl]methanone
CID 109330627
2-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335782
2-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109326984
N-cyclopropyl-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109319972
methyl 4-[[6-methyl-2-(4-methylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109335103
methyl 4-[[4-methyl-6-[(4-methylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109335183
methyl 4-(3,4-dimethylanilino)-6-methylquinoline-2-carboxylate
CID 53113261
methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoate
CID 4073777
methyl 4-[[4-(cyclopentylcarbamoyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109322233

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,4-dimethylanilino)-6-methylpyrimidine-4-carboxylate?
The IUPAC name of methyl 2-(3,4-dimethylanilino)-6-methylpyrimidine-4-carboxylate (CID 71689122) is methyl 2-(3,4-dimethylanilino)-6-methylpyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-(3,4-dimethylanilino)-6-methylpyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-(3,4-dimethylanilino)-6-methylpyrimidine-4-carboxylate is COC(=O)c1cc(C)nc(Nc2ccc(C)c(C)c2)n1.
What is the InChIKey of methyl 2-(3,4-dimethylanilino)-6-methylpyrimidine-4-carboxylate?
The InChIKey is SBGKSPURYLAARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-5-6-12(7-10(9)2)17-15-16-11(3)8-13(18-15)14(19)20-4/h5-8H,1-4H3,(H,16,17,18).
What are the key properties of methyl 2-(3,4-dimethylanilino)-6-methylpyrimidine-4-carboxylate?
methyl 2-(3,4-dimethylanilino)-6-methylpyrimidine-4-carboxylate has a molecular weight of 271.32 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,4-dimethylanilino)-6-methylpyrimidine-4-carboxylate is sourced from PubChem (CID 71689122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).