methyl 2-(4-acetamidoanilino)-6-methylpyrimidine-4-carboxylate

C15H16N4O3 — CID 71689112

IUPACmethyl 2-(4-acetamidoanilino)-6-methylpyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(Nc2ccc(NC(C)=O)cc2)n1
InChIInChI=1S/C15H16N4O3/c1-9-8-13(14(21)22-3)19-15(16-9)18-12-6-4-11(5-7-12)17-10(2)20/h4-8H,1-3H3,(H,17,20)(H,16,18,19)
InChIKeyXRNFPDFNJHULFM-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.27
Rot. Bonds4

About methyl 2-(4-acetamidoanilino)-6-methylpyrimidine-4-carboxylate

methyl 2-(4-acetamidoanilino)-6-methylpyrimidine-4-carboxylate (PubChem CID 71689112) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is methyl 2-(4-acetamidoanilino)-6-methylpyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-acetamidoanilino)-6-methylpyrimidine-4-carboxylate
PubChem CID71689112
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Namemethyl 2-(4-acetamidoanilino)-6-methylpyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(Nc2ccc(NC(C)=O)cc2)n1
InChIInChI=1S/C15H16N4O3/c1-9-8-13(14(21)22-3)19-15(16-9)18-12-6-4-11(5-7-12)17-10(2)20/h4-8H,1-3H3,(H,17,20)(H,16,18,19)
InChIKeyXRNFPDFNJHULFM-UHFFFAOYSA-N
XLogP2.27
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(3,4-dimethylanilino)-6-methylpyrimidine-4-carboxylate
CID 71689122
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
N-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 109326748
N-[4-[[4,6-bis(4-acetamidoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 11763127
2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334565
2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334524
N-[4-[[4-(4-acetamidoanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 159166665
N-[4-[[4-(4-formylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 109326521
N-(3-acetamidophenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336863
2-(4-acetylanilino)-6-methylpyrimidine-4-carboxylic acid
CID 71689152
N-[4-[[2-(3-acetamidoanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931519

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-acetamidoanilino)-6-methylpyrimidine-4-carboxylate?
The IUPAC name of methyl 2-(4-acetamidoanilino)-6-methylpyrimidine-4-carboxylate (CID 71689112) is methyl 2-(4-acetamidoanilino)-6-methylpyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-(4-acetamidoanilino)-6-methylpyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-(4-acetamidoanilino)-6-methylpyrimidine-4-carboxylate is COC(=O)c1cc(C)nc(Nc2ccc(NC(C)=O)cc2)n1.
What is the InChIKey of methyl 2-(4-acetamidoanilino)-6-methylpyrimidine-4-carboxylate?
The InChIKey is XRNFPDFNJHULFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-9-8-13(14(21)22-3)19-15(16-9)18-12-6-4-11(5-7-12)17-10(2)20/h4-8H,1-3H3,(H,17,20)(H,16,18,19).
What are the key properties of methyl 2-(4-acetamidoanilino)-6-methylpyrimidine-4-carboxylate?
methyl 2-(4-acetamidoanilino)-6-methylpyrimidine-4-carboxylate has a molecular weight of 300.32 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-acetamidoanilino)-6-methylpyrimidine-4-carboxylate is sourced from PubChem (CID 71689112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).