3-ethyl-4-propyl-4,5-dihydropyrimidin-2-one

C9H16N2O — CID 123482071

IUPAC3-ethyl-4-propyl-4,5-dihydropyrimidin-2-one
SMILESCCCC1CC=NC(=O)N1CC
InChIInChI=1S/C9H16N2O/c1-3-5-8-6-7-10-9(12)11(8)4-2/h7-8H,3-6H2,1-2H3
InChIKeyQJRJWRNGAWZXMD-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.07
Rot. Bonds3

About 3-ethyl-4-propyl-4,5-dihydropyrimidin-2-one

3-ethyl-4-propyl-4,5-dihydropyrimidin-2-one (PubChem CID 123482071) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-ethyl-4-propyl-4,5-dihydropyrimidin-2-one.

Molecular Properties

Compound Name3-ethyl-4-propyl-4,5-dihydropyrimidin-2-one
PubChem CID123482071
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-ethyl-4-propyl-4,5-dihydropyrimidin-2-one
SMILESCCCC1CC=NC(=O)N1CC
InChIInChI=1S/C9H16N2O/c1-3-5-8-6-7-10-9(12)11(8)4-2/h7-8H,3-6H2,1-2H3
InChIKeyQJRJWRNGAWZXMD-UHFFFAOYSA-N
XLogP2.07
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-propyl-4,5-dihydropyrimidin-2-one?
The IUPAC name of 3-ethyl-4-propyl-4,5-dihydropyrimidin-2-one (CID 123482071) is 3-ethyl-4-propyl-4,5-dihydropyrimidin-2-one.
What is the SMILES notation for 3-ethyl-4-propyl-4,5-dihydropyrimidin-2-one?
The canonical SMILES for 3-ethyl-4-propyl-4,5-dihydropyrimidin-2-one is CCCC1CC=NC(=O)N1CC.
What is the InChIKey of 3-ethyl-4-propyl-4,5-dihydropyrimidin-2-one?
The InChIKey is QJRJWRNGAWZXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-5-8-6-7-10-9(12)11(8)4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-ethyl-4-propyl-4,5-dihydropyrimidin-2-one?
3-ethyl-4-propyl-4,5-dihydropyrimidin-2-one has a molecular weight of 168.24 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-propyl-4,5-dihydropyrimidin-2-one is sourced from PubChem (CID 123482071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).