3-(hydroxymethyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid

C6H6N2O5 — CID 66692265

IUPAC3-(hydroxymethyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)n(CO)c1=O
InChIInChI=1S/C6H6N2O5/c9-2-8-4(10)3(5(11)12)1-7-6(8)13/h1,9H,2H2,(H,7,13)(H,11,12)
InChIKeyMYDUSJNNLOLRKS-UHFFFAOYSA-N
MW186.12 g/mol
LogP-1.82
Rot. Bonds2

About 3-(hydroxymethyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid

3-(hydroxymethyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 66692265) has the molecular formula C6H6N2O5 and a molecular weight of 186.12 g/mol. Its IUPAC name is 3-(hydroxymethyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name3-(hydroxymethyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
PubChem CID66692265
Molecular FormulaC6H6N2O5
Molecular Weight186.12 g/mol
Exact Mass186.03
IUPAC Name3-(hydroxymethyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)n(CO)c1=O
InChIInChI=1S/C6H6N2O5/c9-2-8-4(10)3(5(11)12)1-7-6(8)13/h1,9H,2H2,(H,7,13)(H,11,12)
InChIKeyMYDUSJNNLOLRKS-UHFFFAOYSA-N
XLogP-1.82
TPSA112.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.12
LogP ≤ 5-1.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 3-(hydroxymethyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid (CID 66692265) is 3-(hydroxymethyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 3-(hydroxymethyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 3-(hydroxymethyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid is O=C(O)c1c[nH]c(=O)n(CO)c1=O.
What is the InChIKey of 3-(hydroxymethyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is MYDUSJNNLOLRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O5/c9-2-8-4(10)3(5(11)12)1-7-6(8)13/h1,9H,2H2,(H,7,13)(H,11,12).
What are the key properties of 3-(hydroxymethyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
3-(hydroxymethyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 186.12 g/mol, XLogP of -1.82, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 66692265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).