2,3-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-one

C10H11N3OS — CID 126823846

IUPAC2,3-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-one
SMILESCc1csc(-c2cnc(C)n(C)c2=O)n1
InChIInChI=1S/C10H11N3OS/c1-6-5-15-9(12-6)8-4-11-7(2)13(3)10(8)14/h4-5H,1-3H3
InChIKeyWMHCYWCJLAMGLV-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.52
Rot. Bonds1

About 2,3-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-one

2,3-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-one (PubChem CID 126823846) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is 2,3-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-one
PubChem CID126823846
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name2,3-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-one
SMILESCc1csc(-c2cnc(C)n(C)c2=O)n1
InChIInChI=1S/C10H11N3OS/c1-6-5-15-9(12-6)8-4-11-7(2)13(3)10(8)14/h4-5H,1-3H3
InChIKeyWMHCYWCJLAMGLV-UHFFFAOYSA-N
XLogP1.52
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,3-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidin-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 2,3-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-one?
The IUPAC name of 2,3-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-one (CID 126823846) is 2,3-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-one.
What is the SMILES notation for 2,3-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-one?
The canonical SMILES for 2,3-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-one is Cc1csc(-c2cnc(C)n(C)c2=O)n1.
What is the InChIKey of 2,3-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-one?
The InChIKey is WMHCYWCJLAMGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-6-5-15-9(12-6)8-4-11-7(2)13(3)10(8)14/h4-5H,1-3H3.
What are the key properties of 2,3-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-one?
2,3-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-one has a molecular weight of 221.28 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-one is sourced from PubChem (CID 126823846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).