2-(5-cyano-4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic acid

C20H15N3O5 — CID 134110522

IUPAC2-(5-cyano-4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic acid
SMILESCOc1nc(Oc2cccc(-c3ccccc3)c2C(=O)O)nc(OC)c1C#N
InChIInChI=1S/C20H15N3O5/c1-26-17-14(11-21)18(27-2)23-20(22-17)28-15-10-6-9-13(16(15)19(24)25)12-7-4-3-5-8-12/h3-10H,1-2H3,(H,24,25)
InChIKeyRVSQMUDXXITVGY-UHFFFAOYSA-N
MW377.36 g/mol
LogP3.52
Rot. Bonds6

About 2-(5-cyano-4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic acid

2-(5-cyano-4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic acid (PubChem CID 134110522) has the molecular formula C20H15N3O5 and a molecular weight of 377.36 g/mol. Its IUPAC name is 2-(5-cyano-4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic acid.

Molecular Properties

Compound Name2-(5-cyano-4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic acid
PubChem CID134110522
Molecular FormulaC20H15N3O5
Molecular Weight377.36 g/mol
Exact Mass377.10
IUPAC Name2-(5-cyano-4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic acid
SMILESCOc1nc(Oc2cccc(-c3ccccc3)c2C(=O)O)nc(OC)c1C#N
InChIInChI=1S/C20H15N3O5/c1-26-17-14(11-21)18(27-2)23-20(22-17)28-15-10-6-9-13(16(15)19(24)25)12-7-4-3-5-8-12/h3-10H,1-2H3,(H,24,25)
InChIKeyRVSQMUDXXITVGY-UHFFFAOYSA-N
XLogP3.52
TPSA114.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(5-cyano-4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic 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

2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic acid
CID 14880647
2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzenecarbothioic S-acid
CID 19901305
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-6-(4-chlorophenyl)benzoic acid
CID 134122311
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
4-(2-hydroxyphenyl)-2-methoxy-6-phenylpyridine-3-carbonitrile
CID 135692578
N-cyano-2-methoxy-N-methyl-6-phenylbenzamide
CID 90852917
2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(6-methyl-2-pyridinyl)benzoic acid
CID 19050637
2-methoxy-4-naphthalen-1-yl-6-phenylpyridine-3-carbonitrile
CID 14066095
N-[4-(5-cyano-6-methoxy-4-phenyl-2-pyridinyl)phenyl]acetamide
CID 70924863
3-cyano-2-[4-(2-ethoxyphenyl)phenyl]quinoline-4-carboxylic acid
CID 70327608
6-azulen-1-yl-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 10641600
3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6,7-dimethoxyquinoline-4-carboxylic acid
CID 143206559

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic acid?
The IUPAC name of 2-(5-cyano-4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic acid (CID 134110522) is 2-(5-cyano-4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic acid.
What is the SMILES notation for 2-(5-cyano-4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic acid?
The canonical SMILES for 2-(5-cyano-4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic acid is COc1nc(Oc2cccc(-c3ccccc3)c2C(=O)O)nc(OC)c1C#N.
What is the InChIKey of 2-(5-cyano-4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic acid?
The InChIKey is RVSQMUDXXITVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O5/c1-26-17-14(11-21)18(27-2)23-20(22-17)28-15-10-6-9-13(16(15)19(24)25)12-7-4-3-5-8-12/h3-10H,1-2H3,(H,24,25).
What are the key properties of 2-(5-cyano-4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic acid?
2-(5-cyano-4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic acid has a molecular weight of 377.36 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic acid is sourced from PubChem (CID 134110522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).