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

C4H6N2O3 — CID 21192881

IUPAC1H-pyrimidine-2,4-dione;hydrate
SMILESO.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C4H4N2O2.H2O/c7-3-1-2-5-4(8)6-3;/h1-2H,(H2,5,6,7,8);1H2
InChIKeyQOJHEMRVLYWHFJ-UHFFFAOYSA-N
MW130.10 g/mol
LogP-1.76
Rot. Bonds

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

1H-pyrimidine-2,4-dione;hydrate (PubChem CID 21192881) has the molecular formula C4H6N2O3 and a molecular weight of 130.10 g/mol. Its IUPAC name is 1H-pyrimidine-2,4-dione;hydrate.

Molecular Properties

Compound Name1H-pyrimidine-2,4-dione;hydrate
PubChem CID21192881
Molecular FormulaC4H6N2O3
Molecular Weight130.10 g/mol
Exact Mass130.04
IUPAC Name1H-pyrimidine-2,4-dione;hydrate
SMILESO.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C4H4N2O2.H2O/c7-3-1-2-5-4(8)6-3;/h1-2H,(H2,5,6,7,8);1H2
InChIKeyQOJHEMRVLYWHFJ-UHFFFAOYSA-N
XLogP-1.76
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 5-1.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrimidine-2,4-dione;hydrate?
The IUPAC name of 1H-pyrimidine-2,4-dione;hydrate (CID 21192881) is 1H-pyrimidine-2,4-dione;hydrate.
What is the SMILES notation for 1H-pyrimidine-2,4-dione;hydrate?
The canonical SMILES for 1H-pyrimidine-2,4-dione;hydrate is O.O=c1cc[nH]c(=O)[nH]1.
What is the InChIKey of 1H-pyrimidine-2,4-dione;hydrate?
The InChIKey is QOJHEMRVLYWHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2.H2O/c7-3-1-2-5-4(8)6-3;/h1-2H,(H2,5,6,7,8);1H2.
What are the key properties of 1H-pyrimidine-2,4-dione;hydrate?
1H-pyrimidine-2,4-dione;hydrate has a molecular weight of 130.10 g/mol, XLogP of -1.76, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrimidine-2,4-dione;hydrate is sourced from PubChem (CID 21192881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).