3-tert-butyl-1,6-dihydropyrimidin-2-one

C8H14N2O — CID 168837687

IUPAC3-tert-butyl-1,6-dihydropyrimidin-2-one
SMILESCC(C)(C)N1C=CCNC1=O
InChIInChI=1S/C8H14N2O/c1-8(2,3)10-6-4-5-9-7(10)11/h4,6H,5H2,1-3H3,(H,9,11)
InChIKeyLOKPCKNJLDMIIM-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.32
Rot. Bonds

About 3-tert-butyl-1,6-dihydropyrimidin-2-one

3-tert-butyl-1,6-dihydropyrimidin-2-one (PubChem CID 168837687) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-tert-butyl-1,6-dihydropyrimidin-2-one.

Molecular Properties

Compound Name3-tert-butyl-1,6-dihydropyrimidin-2-one
PubChem CID168837687
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name3-tert-butyl-1,6-dihydropyrimidin-2-one
SMILESCC(C)(C)N1C=CCNC1=O
InChIInChI=1S/C8H14N2O/c1-8(2,3)10-6-4-5-9-7(10)11/h4,6H,5H2,1-3H3,(H,9,11)
InChIKeyLOKPCKNJLDMIIM-UHFFFAOYSA-N
XLogP1.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-tert-butyl-1,6-dihydropyrimidin-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 3-tert-butyl-1,6-dihydropyrimidin-2-one?
The IUPAC name of 3-tert-butyl-1,6-dihydropyrimidin-2-one (CID 168837687) is 3-tert-butyl-1,6-dihydropyrimidin-2-one.
What is the SMILES notation for 3-tert-butyl-1,6-dihydropyrimidin-2-one?
The canonical SMILES for 3-tert-butyl-1,6-dihydropyrimidin-2-one is CC(C)(C)N1C=CCNC1=O.
What is the InChIKey of 3-tert-butyl-1,6-dihydropyrimidin-2-one?
The InChIKey is LOKPCKNJLDMIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-8(2,3)10-6-4-5-9-7(10)11/h4,6H,5H2,1-3H3,(H,9,11).
What are the key properties of 3-tert-butyl-1,6-dihydropyrimidin-2-one?
3-tert-butyl-1,6-dihydropyrimidin-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,6-dihydropyrimidin-2-one is sourced from PubChem (CID 168837687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).