6-hydroxy-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid

C6H6N2O5 — CID 176706166

IUPAC6-hydroxy-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid
SMILESCn1c(O)c(C(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C6H6N2O5/c1-8-4(10)2(5(11)12)3(9)7-6(8)13/h10H,1H3,(H,11,12)(H,7,9,13)
InChIKeyOMBXZRHTCROUQO-UHFFFAOYSA-N
MW186.12 g/mol
LogP-1.52
Rot. Bonds1

About 6-hydroxy-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid

6-hydroxy-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid (PubChem CID 176706166) has the molecular formula C6H6N2O5 and a molecular weight of 186.12 g/mol. Its IUPAC name is 6-hydroxy-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid
PubChem CID176706166
Molecular FormulaC6H6N2O5
Molecular Weight186.12 g/mol
Exact Mass186.03
IUPAC Name6-hydroxy-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid
SMILESCn1c(O)c(C(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C6H6N2O5/c1-8-4(10)2(5(11)12)3(9)7-6(8)13/h10H,1H3,(H,11,12)(H,7,9,13)
InChIKeyOMBXZRHTCROUQO-UHFFFAOYSA-N
XLogP-1.52
TPSA112.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.12
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 96453975
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CID 13316727
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CID 20540620
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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid?
The IUPAC name of 6-hydroxy-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid (CID 176706166) is 6-hydroxy-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-hydroxy-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid?
The canonical SMILES for 6-hydroxy-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid is Cn1c(O)c(C(=O)O)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid?
The InChIKey is OMBXZRHTCROUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O5/c1-8-4(10)2(5(11)12)3(9)7-6(8)13/h10H,1H3,(H,11,12)(H,7,9,13).
What are the key properties of 6-hydroxy-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid?
6-hydroxy-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid has a molecular weight of 186.12 g/mol, XLogP of -1.52, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid is sourced from PubChem (CID 176706166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).