5-hydroxy-1H-pyrimidine-2,4-dione;hydrate

C4H6N2O4 — CID 175729684

IUPAC5-hydroxy-1H-pyrimidine-2,4-dione;hydrate
SMILESO.O=c1[nH]cc(O)c(=O)[nH]1
InChIInChI=1S/C4H4N2O3.H2O/c7-2-1-5-4(9)6-3(2)8;/h1,7H,(H2,5,6,8,9);1H2
InChIKeyRPKJBRKDMTZTFO-UHFFFAOYSA-N
MW146.10 g/mol
LogP-2.06
Rot. Bonds

About 5-hydroxy-1H-pyrimidine-2,4-dione;hydrate

5-hydroxy-1H-pyrimidine-2,4-dione;hydrate (PubChem CID 175729684) has the molecular formula C4H6N2O4 and a molecular weight of 146.10 g/mol. Its IUPAC name is 5-hydroxy-1H-pyrimidine-2,4-dione;hydrate.

Molecular Properties

Compound Name5-hydroxy-1H-pyrimidine-2,4-dione;hydrate
PubChem CID175729684
Molecular FormulaC4H6N2O4
Molecular Weight146.10 g/mol
Exact Mass146.03
IUPAC Name5-hydroxy-1H-pyrimidine-2,4-dione;hydrate
SMILESO.O=c1[nH]cc(O)c(=O)[nH]1
InChIInChI=1S/C4H4N2O3.H2O/c7-2-1-5-4(9)6-3(2)8;/h1,7H,(H2,5,6,8,9);1H2
InChIKeyRPKJBRKDMTZTFO-UHFFFAOYSA-N
XLogP-2.06
TPSA117.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.10
LogP ≤ 5-2.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;5-hydroxy-1H-pyrimidine-2,4-dione
CID 145004805
bis(5-(hydroxymethyl)-1H-pyrimidine-2,4-dione);hydrate
CID 70550921
CID 101090583
CID 101090583
5-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one;yttrium
CID 59141440
alumane;5-fluoro-1H-pyrimidine-2,4-dione;hydrate
CID 174923664
lithium;2,4-dioxo-1H-pyrimidine-5-carboxylate;hydrate
CID 139189490
5-iodo-1H-pyrimidine-2,4-dione
CID 66645095
5-chloro-1H-pyrimidine-2,4-dione
CID 15758
2,4-dioxo-1H-pyrimidine-5-carbonyl iodide
CID 135171307
(2,4-dioxo-1H-pyrimidin-5-yl) hydrogen carbonate
CID 23216229
5-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethynyl]-1H-pyrimidine-2,4-dione
CID 10658057
CID 172781007
CID 172781007

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1H-pyrimidine-2,4-dione;hydrate?
The IUPAC name of 5-hydroxy-1H-pyrimidine-2,4-dione;hydrate (CID 175729684) is 5-hydroxy-1H-pyrimidine-2,4-dione;hydrate.
What is the SMILES notation for 5-hydroxy-1H-pyrimidine-2,4-dione;hydrate?
The canonical SMILES for 5-hydroxy-1H-pyrimidine-2,4-dione;hydrate is O.O=c1[nH]cc(O)c(=O)[nH]1.
What is the InChIKey of 5-hydroxy-1H-pyrimidine-2,4-dione;hydrate?
The InChIKey is RPKJBRKDMTZTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O3.H2O/c7-2-1-5-4(9)6-3(2)8;/h1,7H,(H2,5,6,8,9);1H2.
What are the key properties of 5-hydroxy-1H-pyrimidine-2,4-dione;hydrate?
5-hydroxy-1H-pyrimidine-2,4-dione;hydrate has a molecular weight of 146.10 g/mol, XLogP of -2.06, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1H-pyrimidine-2,4-dione;hydrate is sourced from PubChem (CID 175729684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).