ethanol;1H-pyrimidin-2-one

C6H10N2O2 — CID 158730411

IUPACethanol;1H-pyrimidin-2-one
SMILESCCO.O=c1nccc[nH]1
InChIInChI=1S/C4H4N2O.C2H6O/c7-4-5-2-1-3-6-4;1-2-3/h1-3H,(H,5,6,7);3H,2H2,1H3
InChIKeyILAJLESNVPGPJU-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.23
Rot. Bonds

About ethanol;1H-pyrimidin-2-one

ethanol;1H-pyrimidin-2-one (PubChem CID 158730411) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is ethanol;1H-pyrimidin-2-one.

Molecular Properties

Compound Nameethanol;1H-pyrimidin-2-one
PubChem CID158730411
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Nameethanol;1H-pyrimidin-2-one
SMILESCCO.O=c1nccc[nH]1
InChIInChI=1S/C4H4N2O.C2H6O/c7-4-5-2-1-3-6-4;1-2-3/h1-3H,(H,5,6,7);3H,2H2,1H3
InChIKeyILAJLESNVPGPJU-UHFFFAOYSA-N
XLogP-0.23
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethanol;1H-pyrimidin-2-one 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 ethanol;1H-pyrimidin-2-one?
The IUPAC name of ethanol;1H-pyrimidin-2-one (CID 158730411) is ethanol;1H-pyrimidin-2-one.
What is the SMILES notation for ethanol;1H-pyrimidin-2-one?
The canonical SMILES for ethanol;1H-pyrimidin-2-one is CCO.O=c1nccc[nH]1.
What is the InChIKey of ethanol;1H-pyrimidin-2-one?
The InChIKey is ILAJLESNVPGPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O.C2H6O/c7-4-5-2-1-3-6-4;1-2-3/h1-3H,(H,5,6,7);3H,2H2,1H3.
What are the key properties of ethanol;1H-pyrimidin-2-one?
ethanol;1H-pyrimidin-2-one has a molecular weight of 142.16 g/mol, XLogP of -0.23, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;1H-pyrimidin-2-one is sourced from PubChem (CID 158730411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).