3-tert-butyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one

C9H16N2O2 — CID 138461650

IUPAC3-tert-butyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one
SMILESCC1=CN(C(C)(C)C)C(O)NC1=O
InChIInChI=1S/C9H16N2O2/c1-6-5-11(9(2,3)4)8(13)10-7(6)12/h5,8,13H,1-4H3,(H,10,12)
InChIKeyJCNFUHZDRGNBNG-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.40
Rot. Bonds

About 3-tert-butyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one

3-tert-butyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one (PubChem CID 138461650) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-tert-butyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one.

Molecular Properties

Compound Name3-tert-butyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one
PubChem CID138461650
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-tert-butyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one
SMILESCC1=CN(C(C)(C)C)C(O)NC1=O
InChIInChI=1S/C9H16N2O2/c1-6-5-11(9(2,3)4)8(13)10-7(6)12/h5,8,13H,1-4H3,(H,10,12)
InChIKeyJCNFUHZDRGNBNG-UHFFFAOYSA-N
XLogP0.40
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-tert-butyl-2-hydroxy-5-methyl-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-5-methyl-1,2-dihydropyrimidin-6-one?
The IUPAC name of 3-tert-butyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one (CID 138461650) is 3-tert-butyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one.
What is the SMILES notation for 3-tert-butyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one?
The canonical SMILES for 3-tert-butyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one is CC1=CN(C(C)(C)C)C(O)NC1=O.
What is the InChIKey of 3-tert-butyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one?
The InChIKey is JCNFUHZDRGNBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-6-5-11(9(2,3)4)8(13)10-7(6)12/h5,8,13H,1-4H3,(H,10,12).
What are the key properties of 3-tert-butyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one?
3-tert-butyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one has a molecular weight of 184.24 g/mol, XLogP of 0.40, 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-5-methyl-1,2-dihydropyrimidin-6-one is sourced from PubChem (CID 138461650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).