3-ethyl-4,5-dihydropyrimidin-6-one

C6H10N2O — CID 69299336

IUPAC3-ethyl-4,5-dihydropyrimidin-6-one
SMILESCCN1C=NC(=O)CC1
InChIInChI=1S/C6H10N2O/c1-2-8-4-3-6(9)7-5-8/h5H,2-4H2,1H3
InChIKeyOFVAGNIAQGFXAD-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.27
Rot. Bonds1

About 3-ethyl-4,5-dihydropyrimidin-6-one

3-ethyl-4,5-dihydropyrimidin-6-one (PubChem CID 69299336) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 3-ethyl-4,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name3-ethyl-4,5-dihydropyrimidin-6-one
PubChem CID69299336
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name3-ethyl-4,5-dihydropyrimidin-6-one
SMILESCCN1C=NC(=O)CC1
InChIInChI=1S/C6H10N2O/c1-2-8-4-3-6(9)7-5-8/h5H,2-4H2,1H3
InChIKeyOFVAGNIAQGFXAD-UHFFFAOYSA-N
XLogP0.27
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,5-dihydropyrimidin-6-one?
The IUPAC name of 3-ethyl-4,5-dihydropyrimidin-6-one (CID 69299336) is 3-ethyl-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for 3-ethyl-4,5-dihydropyrimidin-6-one?
The canonical SMILES for 3-ethyl-4,5-dihydropyrimidin-6-one is CCN1C=NC(=O)CC1.
What is the InChIKey of 3-ethyl-4,5-dihydropyrimidin-6-one?
The InChIKey is OFVAGNIAQGFXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-2-8-4-3-6(9)7-5-8/h5H,2-4H2,1H3.
What are the key properties of 3-ethyl-4,5-dihydropyrimidin-6-one?
3-ethyl-4,5-dihydropyrimidin-6-one has a molecular weight of 126.16 g/mol, XLogP of 0.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 69299336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).