4-(3-methoxyphenoxy)pyrimidine-2-carboxylic acid

C12H10N2O4 — CID 140976686

IUPAC4-(3-methoxyphenoxy)pyrimidine-2-carboxylic acid
SMILESCOc1cccc(Oc2ccnc(C(=O)O)n2)c1
InChIInChI=1S/C12H10N2O4/c1-17-8-3-2-4-9(7-8)18-10-5-6-13-11(14-10)12(15)16/h2-7H,1H3,(H,15,16)
InChIKeyQQPTYJZLYBSCNU-UHFFFAOYSA-N
MW246.22 g/mol
LogP1.98
Rot. Bonds4

About 4-(3-methoxyphenoxy)pyrimidine-2-carboxylic acid

4-(3-methoxyphenoxy)pyrimidine-2-carboxylic acid (PubChem CID 140976686) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 4-(3-methoxyphenoxy)pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-methoxyphenoxy)pyrimidine-2-carboxylic acid
PubChem CID140976686
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name4-(3-methoxyphenoxy)pyrimidine-2-carboxylic acid
SMILESCOc1cccc(Oc2ccnc(C(=O)O)n2)c1
InChIInChI=1S/C12H10N2O4/c1-17-8-3-2-4-9(7-8)18-10-5-6-13-11(14-10)12(15)16/h2-7H,1H3,(H,15,16)
InChIKeyQQPTYJZLYBSCNU-UHFFFAOYSA-N
XLogP1.98
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-methoxyphenoxy)pyrimidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-chloropyrimidin-4-yl)oxybenzoic acid
CID 28875473
3-fluoro-2-(3-methoxyphenoxy)pyridine-4-carboxylic acid
CID 105379912
4-(2-methoxyethoxy)pyrimidine-2-carboxylic acid
CID 124926290
4-(3-methoxyphenoxy)pyrimidine
CID 140584284
4-methoxy-2-(2-methylpyrimidin-4-yl)oxybenzoic acid
CID 62770062
N-cyclopropyl-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386439
[3-[2-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]oxyphenyl] acetate
CID 141300396
methyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]pyrimidine-2-carboxylate
CID 69411937
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 46386633
2-(3,5-dimethoxyphenoxy)pyrimidine-4-carboxylic acid
CID 107554624
2-(3-methoxyphenoxy)-3-methylimidazole-4-carboxylic acid
CID 117190487
6-(3-methoxyphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80631293

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenoxy)pyrimidine-2-carboxylic acid?
The IUPAC name of 4-(3-methoxyphenoxy)pyrimidine-2-carboxylic acid (CID 140976686) is 4-(3-methoxyphenoxy)pyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-(3-methoxyphenoxy)pyrimidine-2-carboxylic acid?
The canonical SMILES for 4-(3-methoxyphenoxy)pyrimidine-2-carboxylic acid is COc1cccc(Oc2ccnc(C(=O)O)n2)c1.
What is the InChIKey of 4-(3-methoxyphenoxy)pyrimidine-2-carboxylic acid?
The InChIKey is QQPTYJZLYBSCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c1-17-8-3-2-4-9(7-8)18-10-5-6-13-11(14-10)12(15)16/h2-7H,1H3,(H,15,16).
What are the key properties of 4-(3-methoxyphenoxy)pyrimidine-2-carboxylic acid?
4-(3-methoxyphenoxy)pyrimidine-2-carboxylic acid has a molecular weight of 246.22 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenoxy)pyrimidine-2-carboxylic acid is sourced from PubChem (CID 140976686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).