3-ethyl-5,6-dimethyl-1,4-dihydropyrimidin-2-one

C8H14N2O — CID 170981391

IUPAC3-ethyl-5,6-dimethyl-1,4-dihydropyrimidin-2-one
SMILESCCN1CC(C)=C(C)NC1=O
InChIInChI=1S/C8H14N2O/c1-4-10-5-6(2)7(3)9-8(10)11/h4-5H2,1-3H3,(H,9,11)
InChIKeyFXZXCZHECOPILL-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.33
Rot. Bonds1

About 3-ethyl-5,6-dimethyl-1,4-dihydropyrimidin-2-one

3-ethyl-5,6-dimethyl-1,4-dihydropyrimidin-2-one (PubChem CID 170981391) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-ethyl-5,6-dimethyl-1,4-dihydropyrimidin-2-one.

Molecular Properties

Compound Name3-ethyl-5,6-dimethyl-1,4-dihydropyrimidin-2-one
PubChem CID170981391
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name3-ethyl-5,6-dimethyl-1,4-dihydropyrimidin-2-one
SMILESCCN1CC(C)=C(C)NC1=O
InChIInChI=1S/C8H14N2O/c1-4-10-5-6(2)7(3)9-8(10)11/h4-5H2,1-3H3,(H,9,11)
InChIKeyFXZXCZHECOPILL-UHFFFAOYSA-N
XLogP1.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,6-dimethyl-1,4-dihydropyrimidin-2-one?
The IUPAC name of 3-ethyl-5,6-dimethyl-1,4-dihydropyrimidin-2-one (CID 170981391) is 3-ethyl-5,6-dimethyl-1,4-dihydropyrimidin-2-one.
What is the SMILES notation for 3-ethyl-5,6-dimethyl-1,4-dihydropyrimidin-2-one?
The canonical SMILES for 3-ethyl-5,6-dimethyl-1,4-dihydropyrimidin-2-one is CCN1CC(C)=C(C)NC1=O.
What is the InChIKey of 3-ethyl-5,6-dimethyl-1,4-dihydropyrimidin-2-one?
The InChIKey is FXZXCZHECOPILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-4-10-5-6(2)7(3)9-8(10)11/h4-5H2,1-3H3,(H,9,11).
What are the key properties of 3-ethyl-5,6-dimethyl-1,4-dihydropyrimidin-2-one?
3-ethyl-5,6-dimethyl-1,4-dihydropyrimidin-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,6-dimethyl-1,4-dihydropyrimidin-2-one is sourced from PubChem (CID 170981391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).