5-hydroxy-2-(3-hydroxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxylic acid

C12H10N2O5 — CID 54704161

IUPAC5-hydroxy-2-(3-hydroxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxylic acid
SMILESCn1c(-c2cccc(O)c2)nc(C(=O)O)c(O)c1=O
InChIInChI=1S/C12H10N2O5/c1-14-10(6-3-2-4-7(15)5-6)13-8(12(18)19)9(16)11(14)17/h2-5,15-16H,1H3,(H,18,19)
InChIKeyDTNSUVZNLPPFGV-UHFFFAOYSA-N
MW262.22 g/mol
LogP0.56
Rot. Bonds2

About 5-hydroxy-2-(3-hydroxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxylic acid

5-hydroxy-2-(3-hydroxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxylic acid (PubChem CID 54704161) has the molecular formula C12H10N2O5 and a molecular weight of 262.22 g/mol. Its IUPAC name is 5-hydroxy-2-(3-hydroxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-2-(3-hydroxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxylic acid
PubChem CID54704161
Molecular FormulaC12H10N2O5
Molecular Weight262.22 g/mol
Exact Mass262.06
IUPAC Name5-hydroxy-2-(3-hydroxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxylic acid
SMILESCn1c(-c2cccc(O)c2)nc(C(=O)O)c(O)c1=O
InChIInChI=1S/C12H10N2O5/c1-14-10(6-3-2-4-7(15)5-6)13-8(12(18)19)9(16)11(14)17/h2-5,15-16H,1H3,(H,18,19)
InChIKeyDTNSUVZNLPPFGV-UHFFFAOYSA-N
XLogP0.56
TPSA112.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(3-hydroxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-2-(3-hydroxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxylic acid (CID 54704161) is 5-hydroxy-2-(3-hydroxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-2-(3-hydroxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-2-(3-hydroxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxylic acid is Cn1c(-c2cccc(O)c2)nc(C(=O)O)c(O)c1=O.
What is the InChIKey of 5-hydroxy-2-(3-hydroxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxylic acid?
The InChIKey is DTNSUVZNLPPFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O5/c1-14-10(6-3-2-4-7(15)5-6)13-8(12(18)19)9(16)11(14)17/h2-5,15-16H,1H3,(H,18,19).
What are the key properties of 5-hydroxy-2-(3-hydroxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxylic acid?
5-hydroxy-2-(3-hydroxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxylic acid has a molecular weight of 262.22 g/mol, XLogP of 0.56, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(3-hydroxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxylic acid is sourced from PubChem (CID 54704161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).