2-[3-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid

C19H15FN2O5 — CID 135434321

IUPAC2-[3-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCc1cccc(COc2cccc(-c3nc(C(=O)O)c(O)c(=O)[nH]3)c2)c1F
InChIInChI=1S/C19H15FN2O5/c1-10-4-2-6-12(14(10)20)9-27-13-7-3-5-11(8-13)17-21-15(19(25)26)16(23)18(24)22-17/h2-8,23H,9H2,1H3,(H,25,26)(H,21,22,24)
InChIKeyLJVUCBPBDZDPBT-UHFFFAOYSA-N
MW370.34 g/mol
LogP2.87
Rot. Bonds5

About 2-[3-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid

2-[3-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid (PubChem CID 135434321) has the molecular formula C19H15FN2O5 and a molecular weight of 370.34 g/mol. Its IUPAC name is 2-[3-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
PubChem CID135434321
Molecular FormulaC19H15FN2O5
Molecular Weight370.34 g/mol
Exact Mass370.10
IUPAC Name2-[3-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCc1cccc(COc2cccc(-c3nc(C(=O)O)c(O)c(=O)[nH]3)c2)c1F
InChIInChI=1S/C19H15FN2O5/c1-10-4-2-6-12(14(10)20)9-27-13-7-3-5-11(8-13)17-21-15(19(25)26)16(23)18(24)22-17/h2-8,23H,9H2,1H3,(H,25,26)(H,21,22,24)
InChIKeyLJVUCBPBDZDPBT-UHFFFAOYSA-N
XLogP2.87
TPSA112.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[3-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-5-hydroxy-6-oxo-1H-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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 2-[3-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid (CID 135434321) is 2-[3-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[3-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[3-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid is Cc1cccc(COc2cccc(-c3nc(C(=O)O)c(O)c(=O)[nH]3)c2)c1F.
What is the InChIKey of 2-[3-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid?
The InChIKey is LJVUCBPBDZDPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O5/c1-10-4-2-6-12(14(10)20)9-27-13-7-3-5-11(8-13)17-21-15(19(25)26)16(23)18(24)22-17/h2-8,23H,9H2,1H3,(H,25,26)(H,21,22,24).
What are the key properties of 2-[3-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid?
2-[3-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid has a molecular weight of 370.34 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 135434321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).