2,4-dioxo-1H-pyrimidine-5-carboxylic acid;hydrate

C5H6N2O5 — CID 21116606

IUPAC2,4-dioxo-1H-pyrimidine-5-carboxylic acid;hydrate
SMILESO.O=C(O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H4N2O4.H2O/c8-3-2(4(9)10)1-6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);1H2
InChIKeyHUMYNECKRWOZGW-UHFFFAOYSA-N
MW174.11 g/mol
LogP-2.06
Rot. Bonds1

About 2,4-dioxo-1H-pyrimidine-5-carboxylic acid;hydrate

2,4-dioxo-1H-pyrimidine-5-carboxylic acid;hydrate (PubChem CID 21116606) has the molecular formula C5H6N2O5 and a molecular weight of 174.11 g/mol. Its IUPAC name is 2,4-dioxo-1H-pyrimidine-5-carboxylic acid;hydrate.

Molecular Properties

Compound Name2,4-dioxo-1H-pyrimidine-5-carboxylic acid;hydrate
PubChem CID21116606
Molecular FormulaC5H6N2O5
Molecular Weight174.11 g/mol
Exact Mass174.03
IUPAC Name2,4-dioxo-1H-pyrimidine-5-carboxylic acid;hydrate
SMILESO.O=C(O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H4N2O4.H2O/c8-3-2(4(9)10)1-6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);1H2
InChIKeyHUMYNECKRWOZGW-UHFFFAOYSA-N
XLogP-2.06
TPSA134.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.11
LogP ≤ 5-2.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1H-pyrimidine-5-carboxylic acid;hydrate?
The IUPAC name of 2,4-dioxo-1H-pyrimidine-5-carboxylic acid;hydrate (CID 21116606) is 2,4-dioxo-1H-pyrimidine-5-carboxylic acid;hydrate.
What is the SMILES notation for 2,4-dioxo-1H-pyrimidine-5-carboxylic acid;hydrate?
The canonical SMILES for 2,4-dioxo-1H-pyrimidine-5-carboxylic acid;hydrate is O.O=C(O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxo-1H-pyrimidine-5-carboxylic acid;hydrate?
The InChIKey is HUMYNECKRWOZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O4.H2O/c8-3-2(4(9)10)1-6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);1H2.
What are the key properties of 2,4-dioxo-1H-pyrimidine-5-carboxylic acid;hydrate?
2,4-dioxo-1H-pyrimidine-5-carboxylic acid;hydrate has a molecular weight of 174.11 g/mol, XLogP of -2.06, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1H-pyrimidine-5-carboxylic acid;hydrate is sourced from PubChem (CID 21116606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).