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

C6H10N2O3 — CID 145004805

IUPACethane;5-hydroxy-1H-pyrimidine-2,4-dione
SMILESCC.O=c1[nH]cc(O)c(=O)[nH]1
InChIInChI=1S/C4H4N2O3.C2H6/c7-2-1-5-4(9)6-3(2)8;1-2/h1,7H,(H2,5,6,8,9);1-2H3
InChIKeyXAVDRJPGRSJAIG-UHFFFAOYSA-N
MW158.16 g/mol
LogP-0.20
Rot. Bonds

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

ethane;5-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 145004805) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is ethane;5-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Nameethane;5-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID145004805
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Nameethane;5-hydroxy-1H-pyrimidine-2,4-dione
SMILESCC.O=c1[nH]cc(O)c(=O)[nH]1
InChIInChI=1S/C4H4N2O3.C2H6/c7-2-1-5-4(9)6-3(2)8;1-2/h1,7H,(H2,5,6,8,9);1-2H3
InChIKeyXAVDRJPGRSJAIG-UHFFFAOYSA-N
XLogP-0.20
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze ethane;5-hydroxy-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 ethane;5-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of ethane;5-hydroxy-1H-pyrimidine-2,4-dione (CID 145004805) is ethane;5-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for ethane;5-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for ethane;5-hydroxy-1H-pyrimidine-2,4-dione is CC.O=c1[nH]cc(O)c(=O)[nH]1.
What is the InChIKey of ethane;5-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is XAVDRJPGRSJAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O3.C2H6/c7-2-1-5-4(9)6-3(2)8;1-2/h1,7H,(H2,5,6,8,9);1-2H3.
What are the key properties of ethane;5-hydroxy-1H-pyrimidine-2,4-dione?
ethane;5-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 158.16 g/mol, XLogP of -0.20, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 145004805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).