1,3,4,5,6-pentamethyl-4H-pyrimidin-2-one

C9H16N2O — CID 68515585

IUPAC1,3,4,5,6-pentamethyl-4H-pyrimidin-2-one
SMILESCC1=C(C)N(C)C(=O)N(C)C1C
InChIInChI=1S/C9H16N2O/c1-6-7(2)10(4)9(12)11(5)8(6)3/h7H,1-5H3
InChIKeyNEBDLRHOXFBAHH-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.67
Rot. Bonds

About 1,3,4,5,6-pentamethyl-4H-pyrimidin-2-one

1,3,4,5,6-pentamethyl-4H-pyrimidin-2-one (PubChem CID 68515585) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1,3,4,5,6-pentamethyl-4H-pyrimidin-2-one.

Molecular Properties

Compound Name1,3,4,5,6-pentamethyl-4H-pyrimidin-2-one
PubChem CID68515585
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1,3,4,5,6-pentamethyl-4H-pyrimidin-2-one
SMILESCC1=C(C)N(C)C(=O)N(C)C1C
InChIInChI=1S/C9H16N2O/c1-6-7(2)10(4)9(12)11(5)8(6)3/h7H,1-5H3
InChIKeyNEBDLRHOXFBAHH-UHFFFAOYSA-N
XLogP1.67
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3,4,5,6-pentamethyl-4H-pyrimidin-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 1,3,4,5,6-pentamethyl-4H-pyrimidin-2-one?
The IUPAC name of 1,3,4,5,6-pentamethyl-4H-pyrimidin-2-one (CID 68515585) is 1,3,4,5,6-pentamethyl-4H-pyrimidin-2-one.
What is the SMILES notation for 1,3,4,5,6-pentamethyl-4H-pyrimidin-2-one?
The canonical SMILES for 1,3,4,5,6-pentamethyl-4H-pyrimidin-2-one is CC1=C(C)N(C)C(=O)N(C)C1C.
What is the InChIKey of 1,3,4,5,6-pentamethyl-4H-pyrimidin-2-one?
The InChIKey is NEBDLRHOXFBAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-6-7(2)10(4)9(12)11(5)8(6)3/h7H,1-5H3.
What are the key properties of 1,3,4,5,6-pentamethyl-4H-pyrimidin-2-one?
1,3,4,5,6-pentamethyl-4H-pyrimidin-2-one has a molecular weight of 168.24 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5,6-pentamethyl-4H-pyrimidin-2-one is sourced from PubChem (CID 68515585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).