6-ethyl-1H-pyrimidin-2-one;methanol

C7H12N2O2 — CID 142275143

IUPAC6-ethyl-1H-pyrimidin-2-one;methanol
SMILESCCc1ccnc(=O)[nH]1.CO
InChIInChI=1S/C6H8N2O.CH4O/c1-2-5-3-4-7-6(9)8-5;1-2/h3-4H,2H2,1H3,(H,7,8,9);2H,1H3
InChIKeyLTFKPPUHXQVJNI-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.06
Rot. Bonds1

About 6-ethyl-1H-pyrimidin-2-one;methanol

6-ethyl-1H-pyrimidin-2-one;methanol (PubChem CID 142275143) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 6-ethyl-1H-pyrimidin-2-one;methanol.

Molecular Properties

Compound Name6-ethyl-1H-pyrimidin-2-one;methanol
PubChem CID142275143
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name6-ethyl-1H-pyrimidin-2-one;methanol
SMILESCCc1ccnc(=O)[nH]1.CO
InChIInChI=1S/C6H8N2O.CH4O/c1-2-5-3-4-7-6(9)8-5;1-2/h3-4H,2H2,1H3,(H,7,8,9);2H,1H3
InChIKeyLTFKPPUHXQVJNI-UHFFFAOYSA-N
XLogP-0.06
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-ethyl-1H-pyrimidin-2-one;methanol 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 6-ethyl-1H-pyrimidin-2-one;methanol?
The IUPAC name of 6-ethyl-1H-pyrimidin-2-one;methanol (CID 142275143) is 6-ethyl-1H-pyrimidin-2-one;methanol.
What is the SMILES notation for 6-ethyl-1H-pyrimidin-2-one;methanol?
The canonical SMILES for 6-ethyl-1H-pyrimidin-2-one;methanol is CCc1ccnc(=O)[nH]1.CO.
What is the InChIKey of 6-ethyl-1H-pyrimidin-2-one;methanol?
The InChIKey is LTFKPPUHXQVJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.CH4O/c1-2-5-3-4-7-6(9)8-5;1-2/h3-4H,2H2,1H3,(H,7,8,9);2H,1H3.
What are the key properties of 6-ethyl-1H-pyrimidin-2-one;methanol?
6-ethyl-1H-pyrimidin-2-one;methanol has a molecular weight of 156.19 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1H-pyrimidin-2-one;methanol is sourced from PubChem (CID 142275143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).