4-chloro-2,5-dimethyl-6-(oxan-4-ylsulfanyl)pyrimidine

C11H15ClN2OS — CID 63730828

IUPAC4-chloro-2,5-dimethyl-6-(oxan-4-ylsulfanyl)pyrimidine
SMILESCc1nc(Cl)c(C)c(SC2CCOCC2)n1
InChIInChI=1S/C11H15ClN2OS/c1-7-10(12)13-8(2)14-11(7)16-9-3-5-15-6-4-9/h9H,3-6H2,1-2H3
InChIKeyRAMQMSLZYXKWFR-UHFFFAOYSA-N
MW258.77 g/mol
LogP3.02
Rot. Bonds2

About 4-chloro-2,5-dimethyl-6-(oxan-4-ylsulfanyl)pyrimidine

4-chloro-2,5-dimethyl-6-(oxan-4-ylsulfanyl)pyrimidine (PubChem CID 63730828) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 4-chloro-2,5-dimethyl-6-(oxan-4-ylsulfanyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2,5-dimethyl-6-(oxan-4-ylsulfanyl)pyrimidine
PubChem CID63730828
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name4-chloro-2,5-dimethyl-6-(oxan-4-ylsulfanyl)pyrimidine
SMILESCc1nc(Cl)c(C)c(SC2CCOCC2)n1
InChIInChI=1S/C11H15ClN2OS/c1-7-10(12)13-8(2)14-11(7)16-9-3-5-15-6-4-9/h9H,3-6H2,1-2H3
InChIKeyRAMQMSLZYXKWFR-UHFFFAOYSA-N
XLogP3.02
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2,5-dimethyl-6-(oxan-4-ylsulfanyl)pyrimidine 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 4-chloro-2,5-dimethyl-6-(oxan-4-ylsulfanyl)pyrimidine?
The IUPAC name of 4-chloro-2,5-dimethyl-6-(oxan-4-ylsulfanyl)pyrimidine (CID 63730828) is 4-chloro-2,5-dimethyl-6-(oxan-4-ylsulfanyl)pyrimidine.
What is the SMILES notation for 4-chloro-2,5-dimethyl-6-(oxan-4-ylsulfanyl)pyrimidine?
The canonical SMILES for 4-chloro-2,5-dimethyl-6-(oxan-4-ylsulfanyl)pyrimidine is Cc1nc(Cl)c(C)c(SC2CCOCC2)n1.
What is the InChIKey of 4-chloro-2,5-dimethyl-6-(oxan-4-ylsulfanyl)pyrimidine?
The InChIKey is RAMQMSLZYXKWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c1-7-10(12)13-8(2)14-11(7)16-9-3-5-15-6-4-9/h9H,3-6H2,1-2H3.
What are the key properties of 4-chloro-2,5-dimethyl-6-(oxan-4-ylsulfanyl)pyrimidine?
4-chloro-2,5-dimethyl-6-(oxan-4-ylsulfanyl)pyrimidine has a molecular weight of 258.77 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethyl-6-(oxan-4-ylsulfanyl)pyrimidine is sourced from PubChem (CID 63730828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).