methyl 6-(2-methylphenyl)pyrimidine-4-carboxylate

C13H12N2O2 — CID 122239270

IUPACmethyl 6-(2-methylphenyl)pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2C)ncn1
InChIInChI=1S/C13H12N2O2/c1-9-5-3-4-6-10(9)11-7-12(13(16)17-2)15-8-14-11/h3-8H,1-2H3
InChIKeyKDMLLSAGJVIJAL-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.24
Rot. Bonds2

About methyl 6-(2-methylphenyl)pyrimidine-4-carboxylate

methyl 6-(2-methylphenyl)pyrimidine-4-carboxylate (PubChem CID 122239270) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is methyl 6-(2-methylphenyl)pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-methylphenyl)pyrimidine-4-carboxylate
PubChem CID122239270
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Namemethyl 6-(2-methylphenyl)pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2C)ncn1
InChIInChI=1S/C13H12N2O2/c1-9-5-3-4-6-10(9)11-7-12(13(16)17-2)15-8-14-11/h3-8H,1-2H3
InChIKeyKDMLLSAGJVIJAL-UHFFFAOYSA-N
XLogP2.24
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-(2-methylphenyl)pyridine-2-carboxylate
CID 117222230
methyl 6-(3-chloro-4-methylphenyl)pyrimidine-4-carboxylate
CID 67218962
6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 82288708
methyl 2-(2-methylphenyl)-6-phenylmethoxypyridine-4-carboxylate
CID 165437550
methyl 3-hydroxy-6-(2-methylphenyl)pyridine-2-carboxylate
CID 102311394
methyl 6-(2-fluorobenzoyl)pyrimidine-4-carboxylate
CID 97178575
methyl 4-(2,6-dimethylphenyl)-5-methoxypyridine-2-carboxylate
CID 166844850
methyl 4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-3-methylbenzoate
CID 68915808
methyl 2-methyl-3,6-bis(2-methylphenyl)benzoate
CID 58232399
methyl 5-(2-methylphenyl)-1,3-thiazole-4-carboxylate
CID 53271159
methyl 2-(2-methylphenyl)imidazo[1,2-a]pyridine-7-carboxylate
CID 117135442
methyl 6-(1H-indole-3-carbonyl)pyrimidine-4-carboxylate
CID 148584588

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-methylphenyl)pyrimidine-4-carboxylate?
The IUPAC name of methyl 6-(2-methylphenyl)pyrimidine-4-carboxylate (CID 122239270) is methyl 6-(2-methylphenyl)pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-(2-methylphenyl)pyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-(2-methylphenyl)pyrimidine-4-carboxylate is COC(=O)c1cc(-c2ccccc2C)ncn1.
What is the InChIKey of methyl 6-(2-methylphenyl)pyrimidine-4-carboxylate?
The InChIKey is KDMLLSAGJVIJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-9-5-3-4-6-10(9)11-7-12(13(16)17-2)15-8-14-11/h3-8H,1-2H3.
What are the key properties of methyl 6-(2-methylphenyl)pyrimidine-4-carboxylate?
methyl 6-(2-methylphenyl)pyrimidine-4-carboxylate has a molecular weight of 228.25 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-methylphenyl)pyrimidine-4-carboxylate is sourced from PubChem (CID 122239270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).