1,3-diazinane-2,4-dione;1H-pyrimidine-2,4-dione

C8H10N4O4 — CID 141460560

IUPAC1,3-diazinane-2,4-dione;1H-pyrimidine-2,4-dione
SMILESO=C1CCNC(=O)N1.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C4H6N2O2.C4H4N2O2/c2*7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8);1-2H,(H2,5,6,7,8)
InChIKeyCGVUZVXMGYSOGB-UHFFFAOYSA-N
MW226.19 g/mol
LogP-1.72
Rot. Bonds

About 1,3-diazinane-2,4-dione;1H-pyrimidine-2,4-dione

1,3-diazinane-2,4-dione;1H-pyrimidine-2,4-dione (PubChem CID 141460560) has the molecular formula C8H10N4O4 and a molecular weight of 226.19 g/mol. Its IUPAC name is 1,3-diazinane-2,4-dione;1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-diazinane-2,4-dione;1H-pyrimidine-2,4-dione
PubChem CID141460560
Molecular FormulaC8H10N4O4
Molecular Weight226.19 g/mol
Exact Mass226.07
IUPAC Name1,3-diazinane-2,4-dione;1H-pyrimidine-2,4-dione
SMILESO=C1CCNC(=O)N1.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C4H6N2O2.C4H4N2O2/c2*7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8);1-2H,(H2,5,6,7,8)
InChIKeyCGVUZVXMGYSOGB-UHFFFAOYSA-N
XLogP-1.72
TPSA123.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-1.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1,3-diazinane-2,4-dione;1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-diazinane-2,4-dione;1H-pyrimidine-2,4-dione?
The IUPAC name of 1,3-diazinane-2,4-dione;1H-pyrimidine-2,4-dione (CID 141460560) is 1,3-diazinane-2,4-dione;1H-pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-diazinane-2,4-dione;1H-pyrimidine-2,4-dione?
The canonical SMILES for 1,3-diazinane-2,4-dione;1H-pyrimidine-2,4-dione is O=C1CCNC(=O)N1.O=c1cc[nH]c(=O)[nH]1.
What is the InChIKey of 1,3-diazinane-2,4-dione;1H-pyrimidine-2,4-dione?
The InChIKey is CGVUZVXMGYSOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2.C4H4N2O2/c2*7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8);1-2H,(H2,5,6,7,8).
What are the key properties of 1,3-diazinane-2,4-dione;1H-pyrimidine-2,4-dione?
1,3-diazinane-2,4-dione;1H-pyrimidine-2,4-dione has a molecular weight of 226.19 g/mol, XLogP of -1.72, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diazinane-2,4-dione;1H-pyrimidine-2,4-dione is sourced from PubChem (CID 141460560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).