2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxylic acid

C13H12N2O3 — CID 30031621

IUPAC2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxylic acid
SMILESCOc1ccc(-c2ncc(C(=O)O)c(C)n2)cc1
InChIInChI=1S/C13H12N2O3/c1-8-11(13(16)17)7-14-12(15-8)9-3-5-10(18-2)6-4-9/h3-7H,1-2H3,(H,16,17)
InChIKeyLQSJKZGFNLJQHE-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.16
Rot. Bonds3

About 2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxylic acid

2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxylic acid (PubChem CID 30031621) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxylic acid
PubChem CID30031621
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxylic acid
SMILESCOc1ccc(-c2ncc(C(=O)O)c(C)n2)cc1
InChIInChI=1S/C13H12N2O3/c1-8-11(13(16)17)7-14-12(15-8)9-3-5-10(18-2)6-4-9/h3-7H,1-2H3,(H,16,17)
InChIKeyLQSJKZGFNLJQHE-UHFFFAOYSA-N
XLogP2.16
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-cyanopropoxy)phenyl]-4-methylpyrimidine-5-carboxylic acid
CID 156772067
5-acetyl-2-(4-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 82170327
2-[4-(1,1-difluoro-2-methylpropyl)phenyl]-4-methylpyrimidine-5-carboxylic acid
CID 155365669
N-[1-(4-chlorophenyl)ethyl]-2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 132657337
N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 100801872
methyl 2-(4-aminophenyl)-4-methylpyrimidine-5-carboxylate
CID 100802255
methyl 4-chloro-2-(4-methoxyphenyl)pyrimidine-5-carboxylate
CID 82169044
2-[4-[(3-cyano-2-fluorophenyl)methoxy]phenyl]-4-methylpyrimidine-5-carboxylic acid
CID 175129325
2-methoxy-5-(4-methoxyphenyl)pyridine-3-carboxylic acid
CID 53222794
2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methylpyrimidine-5-carboxylic acid
CID 134412918
N-[(4-methoxyphenyl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 53080240
2-(methoxyamino)-4-methylpyrimidine-5-carboxylic acid
CID 90980975

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxylic acid (CID 30031621) is 2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxylic acid is COc1ccc(-c2ncc(C(=O)O)c(C)n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is LQSJKZGFNLJQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-8-11(13(16)17)7-14-12(15-8)9-3-5-10(18-2)6-4-9/h3-7H,1-2H3,(H,16,17).
What are the key properties of 2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxylic acid?
2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 30031621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).