2-[(2,3-dimethyl-4H-pyrimidin-6-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one

C12H16N4OS — CID 139472196

IUPAC2-[(2,3-dimethyl-4H-pyrimidin-6-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
SMILESCC1=NC(CSc2nc(C)cc(=O)[nH]2)=CCN1C
InChIInChI=1S/C12H16N4OS/c1-8-6-11(17)15-12(13-8)18-7-10-4-5-16(3)9(2)14-10/h4,6H,5,7H2,1-3H3,(H,13,15,17)
InChIKeyIWSHQSQZDVHUNF-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.42
Rot. Bonds3

About 2-[(2,3-dimethyl-4H-pyrimidin-6-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one

2-[(2,3-dimethyl-4H-pyrimidin-6-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 139472196) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-[(2,3-dimethyl-4H-pyrimidin-6-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2,3-dimethyl-4H-pyrimidin-6-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID139472196
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name2-[(2,3-dimethyl-4H-pyrimidin-6-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
SMILESCC1=NC(CSc2nc(C)cc(=O)[nH]2)=CCN1C
InChIInChI=1S/C12H16N4OS/c1-8-6-11(17)15-12(13-8)18-7-10-4-5-16(3)9(2)14-10/h4,6H,5,7H2,1-3H3,(H,13,15,17)
InChIKeyIWSHQSQZDVHUNF-UHFFFAOYSA-N
XLogP1.42
TPSA61.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2,3-dimethyl-4H-pyrimidin-6-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-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

Related Compounds

4-methyl-2-(5H-[1,3]thiazolo[3,2-a]pyrimidin-7-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 139472174
4-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135537907
2-[[3-ethyl-5-(trifluoromethyl)imidazol-4-yl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 172593106
3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid
CID 135410546
4-methyl-2-[(4-methyl-1H-pyrazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one
CID 139472125
2-[(2,6-dichlorophenyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 135473089
2-methyl-7-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 135515063
4-methyl-2-[(4-methyl-2-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135559183
2-[(5-aminopyrazin-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 136980695
4-methyl-2-[(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one
CID 137156542
4-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one
CID 136789522
4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
CID 135421456

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethyl-4H-pyrimidin-6-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2,3-dimethyl-4H-pyrimidin-6-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one (CID 139472196) is 2-[(2,3-dimethyl-4H-pyrimidin-6-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2,3-dimethyl-4H-pyrimidin-6-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2,3-dimethyl-4H-pyrimidin-6-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one is CC1=NC(CSc2nc(C)cc(=O)[nH]2)=CCN1C.
What is the InChIKey of 2-[(2,3-dimethyl-4H-pyrimidin-6-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is IWSHQSQZDVHUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-8-6-11(17)15-12(13-8)18-7-10-4-5-16(3)9(2)14-10/h4,6H,5,7H2,1-3H3,(H,13,15,17).
What are the key properties of 2-[(2,3-dimethyl-4H-pyrimidin-6-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one?
2-[(2,3-dimethyl-4H-pyrimidin-6-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 264.35 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethyl-4H-pyrimidin-6-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 139472196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).