5-hydroxy-6-oxo-2-(3-phenylmethoxyphenyl)-1H-pyrimidine-4-carboxylic acid

C18H14N2O5 — CID 135434352

IUPAC5-hydroxy-6-oxo-2-(3-phenylmethoxyphenyl)-1H-pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2cccc(OCc3ccccc3)c2)[nH]c(=O)c1O
InChIInChI=1S/C18H14N2O5/c21-15-14(18(23)24)19-16(20-17(15)22)12-7-4-8-13(9-12)25-10-11-5-2-1-3-6-11/h1-9,21H,10H2,(H,23,24)(H,19,20,22)
InChIKeyIHENRRNKCCTTGR-UHFFFAOYSA-N
MW338.32 g/mol
LogP2.42
Rot. Bonds5

About 5-hydroxy-6-oxo-2-(3-phenylmethoxyphenyl)-1H-pyrimidine-4-carboxylic acid

5-hydroxy-6-oxo-2-(3-phenylmethoxyphenyl)-1H-pyrimidine-4-carboxylic acid (PubChem CID 135434352) has the molecular formula C18H14N2O5 and a molecular weight of 338.32 g/mol. Its IUPAC name is 5-hydroxy-6-oxo-2-(3-phenylmethoxyphenyl)-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-6-oxo-2-(3-phenylmethoxyphenyl)-1H-pyrimidine-4-carboxylic acid
PubChem CID135434352
Molecular FormulaC18H14N2O5
Molecular Weight338.32 g/mol
Exact Mass338.09
IUPAC Name5-hydroxy-6-oxo-2-(3-phenylmethoxyphenyl)-1H-pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2cccc(OCc3ccccc3)c2)[nH]c(=O)c1O
InChIInChI=1S/C18H14N2O5/c21-15-14(18(23)24)19-16(20-17(15)22)12-7-4-8-13(9-12)25-10-11-5-2-1-3-6-11/h1-9,21H,10H2,(H,23,24)(H,19,20,22)
InChIKeyIHENRRNKCCTTGR-UHFFFAOYSA-N
XLogP2.42
TPSA112.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-oxo-2-(3-phenylmethoxyphenyl)-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-6-oxo-2-(3-phenylmethoxyphenyl)-1H-pyrimidine-4-carboxylic acid (CID 135434352) is 5-hydroxy-6-oxo-2-(3-phenylmethoxyphenyl)-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-6-oxo-2-(3-phenylmethoxyphenyl)-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-6-oxo-2-(3-phenylmethoxyphenyl)-1H-pyrimidine-4-carboxylic acid is O=C(O)c1nc(-c2cccc(OCc3ccccc3)c2)[nH]c(=O)c1O.
What is the InChIKey of 5-hydroxy-6-oxo-2-(3-phenylmethoxyphenyl)-1H-pyrimidine-4-carboxylic acid?
The InChIKey is IHENRRNKCCTTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O5/c21-15-14(18(23)24)19-16(20-17(15)22)12-7-4-8-13(9-12)25-10-11-5-2-1-3-6-11/h1-9,21H,10H2,(H,23,24)(H,19,20,22).
What are the key properties of 5-hydroxy-6-oxo-2-(3-phenylmethoxyphenyl)-1H-pyrimidine-4-carboxylic acid?
5-hydroxy-6-oxo-2-(3-phenylmethoxyphenyl)-1H-pyrimidine-4-carboxylic acid has a molecular weight of 338.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-oxo-2-(3-phenylmethoxyphenyl)-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 135434352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).