6-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide

C13H13N3O2 — CID 67546414

IUPAC6-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(N)=O)nc(C)n1
InChIInChI=1S/C13H13N3O2/c1-8-15-10(7-11(16-8)13(14)17)9-5-3-4-6-12(9)18-2/h3-7H,1-2H3,(H2,14,17)
InChIKeyUDXKCIGNKNYCQT-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.56
Rot. Bonds3

About 6-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide

6-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 67546414) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID67546414
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name6-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(N)=O)nc(C)n1
InChIInChI=1S/C13H13N3O2/c1-8-15-10(7-11(16-8)13(14)17)9-5-3-4-6-12(9)18-2/h3-7H,1-2H3,(H2,14,17)
InChIKeyUDXKCIGNKNYCQT-UHFFFAOYSA-N
XLogP1.56
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 28799604
6-(2-methoxyphenyl)-2-methylpyrimidine-4-carbaldehyde
CID 83823686
3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 156565673
6-(4-methoxy-2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxylic acid
CID 82306334
6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 82288708
4-N-[6-(2-methoxyphenyl)-2-methylpyrimidin-4-yl]benzene-1,4-diamine
CID 68917912
6-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 90105150
3-amino-6-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 10377153
methyl 4-chloro-6-(2-methoxyphenyl)pyridine-2-carboxylate
CID 12784965
2-amino-6-(2-prop-2-enoxyphenyl)pyrimidine-4-carboxamide
CID 54852211
6-(2,6-dimethoxyphenyl)-2-methylsulfonylpyrimidine-4-carboxamide
CID 58872697
ethyl 3-(2-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 57356240

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide (CID 67546414) is 6-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide is COc1ccccc1-c1cc(C(N)=O)nc(C)n1.
What is the InChIKey of 6-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is UDXKCIGNKNYCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-8-15-10(7-11(16-8)13(14)17)9-5-3-4-6-12(9)18-2/h3-7H,1-2H3,(H2,14,17).
What are the key properties of 6-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
6-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 67546414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).