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

C19H16N2O5 — CID 135434369

IUPAC5-hydroxy-2-[3-[(2-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCc1ccccc1COc1cccc(-c2nc(C(=O)O)c(O)c(=O)[nH]2)c1
InChIInChI=1S/C19H16N2O5/c1-11-5-2-3-6-13(11)10-26-14-8-4-7-12(9-14)17-20-15(19(24)25)16(22)18(23)21-17/h2-9,22H,10H2,1H3,(H,24,25)(H,20,21,23)
InChIKeyFUBFMSPPNAZYSY-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.73
Rot. Bonds5

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

5-hydroxy-2-[3-[(2-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid (PubChem CID 135434369) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is 5-hydroxy-2-[3-[(2-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-2-[3-[(2-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
PubChem CID135434369
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name5-hydroxy-2-[3-[(2-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCc1ccccc1COc1cccc(-c2nc(C(=O)O)c(O)c(=O)[nH]2)c1
InChIInChI=1S/C19H16N2O5/c1-11-5-2-3-6-13(11)10-26-14-8-4-7-12(9-14)17-20-15(19(24)25)16(22)18(23)21-17/h2-9,22H,10H2,1H3,(H,24,25)(H,20,21,23)
InChIKeyFUBFMSPPNAZYSY-UHFFFAOYSA-N
XLogP2.73
TPSA112.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[3-[(2-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-2-[3-[(2-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid (CID 135434369) is 5-hydroxy-2-[3-[(2-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-2-[3-[(2-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-2-[3-[(2-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid is Cc1ccccc1COc1cccc(-c2nc(C(=O)O)c(O)c(=O)[nH]2)c1.
What is the InChIKey of 5-hydroxy-2-[3-[(2-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid?
The InChIKey is FUBFMSPPNAZYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-11-5-2-3-6-13(11)10-26-14-8-4-7-12(9-14)17-20-15(19(24)25)16(22)18(23)21-17/h2-9,22H,10H2,1H3,(H,24,25)(H,20,21,23).
What are the key properties of 5-hydroxy-2-[3-[(2-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid?
5-hydroxy-2-[3-[(2-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid has a molecular weight of 352.35 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[3-[(2-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 135434369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).