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

C8H14N2O2 — CID 138461649

IUPAC3-tert-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one
SMILESCC(C)(C)N1C=CC(=O)NC1O
InChIInChI=1S/C8H14N2O2/c1-8(2,3)10-5-4-6(11)9-7(10)12/h4-5,7,12H,1-3H3,(H,9,11)
InChIKeyBRDCHDKXHDUHGF-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.01
Rot. Bonds

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

3-tert-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one (PubChem CID 138461649) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-tert-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one.

Molecular Properties

Compound Name3-tert-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one
PubChem CID138461649
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3-tert-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one
SMILESCC(C)(C)N1C=CC(=O)NC1O
InChIInChI=1S/C8H14N2O2/c1-8(2,3)10-5-4-6(11)9-7(10)12/h4-5,7,12H,1-3H3,(H,9,11)
InChIKeyBRDCHDKXHDUHGF-UHFFFAOYSA-N
XLogP0.01
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-tert-butyl-2-hydroxy-1,2-dihydropyrimidin-6-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-2-hydroxy-1,2-dihydropyrimidin-6-one?
The IUPAC name of 3-tert-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one (CID 138461649) is 3-tert-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one.
What is the SMILES notation for 3-tert-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one?
The canonical SMILES for 3-tert-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one is CC(C)(C)N1C=CC(=O)NC1O.
What is the InChIKey of 3-tert-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one?
The InChIKey is BRDCHDKXHDUHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-8(2,3)10-5-4-6(11)9-7(10)12/h4-5,7,12H,1-3H3,(H,9,11).
What are the key properties of 3-tert-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one?
3-tert-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one has a molecular weight of 170.21 g/mol, XLogP of 0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one is sourced from PubChem (CID 138461649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).