6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid

C12H10N2O3 — CID 82288708

IUPAC6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid
SMILESCOc1ccccc1-c1cc(C(=O)O)ncn1
InChIInChI=1S/C12H10N2O3/c1-17-11-5-3-2-4-8(11)9-6-10(12(15)16)14-7-13-9/h2-7H,1H3,(H,15,16)
InChIKeyXGHZMOGYZKCAOX-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.85
Rot. Bonds3

About 6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid

6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid (PubChem CID 82288708) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid
PubChem CID82288708
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid
SMILESCOc1ccccc1-c1cc(C(=O)O)ncn1
InChIInChI=1S/C12H10N2O3/c1-17-11-5-3-2-4-8(11)9-6-10(12(15)16)14-7-13-9/h2-7H,1H3,(H,15,16)
InChIKeyXGHZMOGYZKCAOX-UHFFFAOYSA-N
XLogP1.85
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxylic acid
CID 82294071
6-(2-methoxy-5-propan-2-ylphenyl)pyrimidine-4-carboxylic acid
CID 82306293
2-amino-6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 28799604
2-chloro-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]benzoic acid
CID 161421648
6-(4-methoxy-2,3,5-trimethylphenyl)pyrimidine-4-carboxylic acid
CID 82306331
4-chloro-6-(2-methoxyphenyl)pyrimidine;4,6-dichloropyrimidine;(2-methoxyphenyl)boronic acid
CID 158633238
methyl 6-(2-methylphenyl)pyrimidine-4-carboxylate
CID 122239270
(6-phenylpyrimidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 53364049
6-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 67546414
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide
CID 59509083
[3-[6-(2-methoxyphenyl)pyrimidin-4-yl]-2-pyridinyl]methanamine
CID 68917587

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid (CID 82288708) is 6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid is COc1ccccc1-c1cc(C(=O)O)ncn1.
What is the InChIKey of 6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid?
The InChIKey is XGHZMOGYZKCAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-17-11-5-3-2-4-8(11)9-6-10(12(15)16)14-7-13-9/h2-7H,1H3,(H,15,16).
What are the key properties of 6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid?
6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 82288708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).