2-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)pyrimidine-4-carboxylic acid

C21H16N2O4 — CID 170356732

IUPAC2-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)pyrimidine-4-carboxylic acid
SMILESCc1oc2ccc(OCc3ccccc3)cc2c1-c1nccc(C(=O)O)n1
InChIInChI=1S/C21H16N2O4/c1-13-19(20-22-10-9-17(23-20)21(24)25)16-11-15(7-8-18(16)27-13)26-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,24,25)
InChIKeyTUPRCZWZWUYHOS-UHFFFAOYSA-N
MW360.37 g/mol
LogP4.48
Rot. Bonds5

About 2-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)pyrimidine-4-carboxylic acid

2-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)pyrimidine-4-carboxylic acid (PubChem CID 170356732) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)pyrimidine-4-carboxylic acid
PubChem CID170356732
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC Name2-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)pyrimidine-4-carboxylic acid
SMILESCc1oc2ccc(OCc3ccccc3)cc2c1-c1nccc(C(=O)O)n1
InChIInChI=1S/C21H16N2O4/c1-13-19(20-22-10-9-17(23-20)21(24)25)16-11-15(7-8-18(16)27-13)26-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,24,25)
InChIKeyTUPRCZWZWUYHOS-UHFFFAOYSA-N
XLogP4.48
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)pyrimidine-4-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

2-methyl-N-methylsulfonyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379631
2-methyl-N-(oxetan-3-yl)-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379359
2-methyl-5-phenylmethoxy-N-pyridazin-3-yl-1-benzofuran-3-carboxamide
CID 163379719
5-[(3-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 163379683
5-[(3-bromophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 979577
2-phenyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid
CID 696231
N-(1,3-benzothiazol-2-yl)-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 8550950
1-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)cyclopropane-1-carbonitrile
CID 170356731
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379295
carbanide;2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide;osmium(1+);pyrrolidine
CID 163379705
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379316
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379373

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)pyrimidine-4-carboxylic acid (CID 170356732) is 2-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)pyrimidine-4-carboxylic acid is Cc1oc2ccc(OCc3ccccc3)cc2c1-c1nccc(C(=O)O)n1.
What is the InChIKey of 2-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)pyrimidine-4-carboxylic acid?
The InChIKey is TUPRCZWZWUYHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4/c1-13-19(20-22-10-9-17(23-20)21(24)25)16-11-15(7-8-18(16)27-13)26-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,24,25).
What are the key properties of 2-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)pyrimidine-4-carboxylic acid?
2-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)pyrimidine-4-carboxylic acid has a molecular weight of 360.37 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 170356732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).