3-Methyl-5,6-di(propan-2-yl)-1,2-dihydropyrimidin-4-one

C11H20N2O — CID 57822033

IUPAC3-methyl-5,6-di(propan-2-yl)-1,2-dihydropyrimidin-4-one
SMILESCC(C)C1=C(NCN(C1=O)C)C(C)C
InChIInChI=1S/C11H20N2O/c1-7(2)9-10(8(3)4)12-6-13(5)11(9)14/h7-8,12H,6H2,1-5H3
InChIKeyKYZRPZSFGLPBCG-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.10
Rot. Bonds2

About 3-Methyl-5,6-di(propan-2-yl)-1,2-dihydropyrimidin-4-one

3-Methyl-5,6-di(propan-2-yl)-1,2-dihydropyrimidin-4-one (PubChem CID 57822033) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-methyl-5,6-di(propan-2-yl)-1,2-dihydropyrimidin-4-one.

Molecular Properties

Compound Name3-Methyl-5,6-di(propan-2-yl)-1,2-dihydropyrimidin-4-one
PubChem CID57822033
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-methyl-5,6-di(propan-2-yl)-1,2-dihydropyrimidin-4-one
SMILESCC(C)C1=C(NCN(C1=O)C)C(C)C
InChIInChI=1S/C11H20N2O/c1-7(2)9-10(8(3)4)12-6-13(5)11(9)14/h7-8,12H,6H2,1-5H3
InChIKeyKYZRPZSFGLPBCG-UHFFFAOYSA-N
XLogP2.10
TPSA32.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity266

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-Methyl-5,6-di(propan-2-yl)-1,2-dihydropyrimidin-4-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-Methyl-5,6-di(propan-2-yl)-1,2-dihydropyrimidin-4-one?
The IUPAC name of 3-Methyl-5,6-di(propan-2-yl)-1,2-dihydropyrimidin-4-one (CID 57822033) is 3-methyl-5,6-di(propan-2-yl)-1,2-dihydropyrimidin-4-one.
What is the SMILES notation for 3-Methyl-5,6-di(propan-2-yl)-1,2-dihydropyrimidin-4-one?
The canonical SMILES for 3-Methyl-5,6-di(propan-2-yl)-1,2-dihydropyrimidin-4-one is CC(C)C1=C(NCN(C1=O)C)C(C)C.
What is the InChIKey of 3-Methyl-5,6-di(propan-2-yl)-1,2-dihydropyrimidin-4-one?
The InChIKey is KYZRPZSFGLPBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-7(2)9-10(8(3)4)12-6-13(5)11(9)14/h7-8,12H,6H2,1-5H3.
What are the key properties of 3-Methyl-5,6-di(propan-2-yl)-1,2-dihydropyrimidin-4-one?
3-Methyl-5,6-di(propan-2-yl)-1,2-dihydropyrimidin-4-one has a molecular weight of 196.29 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Methyl-5,6-di(propan-2-yl)-1,2-dihydropyrimidin-4-one is sourced from PubChem (CID 57822033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).