4,6-dichloro-5-cyclopentyl-2-(5,6-dimethyl-1,4-dithian-2-yl)pyrimidine

C15H20Cl2N2S2 — CID 103344692

IUPAC4,6-dichloro-5-cyclopentyl-2-(5,6-dimethyl-1,4-dithian-2-yl)pyrimidine
SMILESCC1SCC(c2nc(Cl)c(C3CCCC3)c(Cl)n2)SC1C
InChIInChI=1S/C15H20Cl2N2S2/c1-8-9(2)21-11(7-20-8)15-18-13(16)12(14(17)19-15)10-5-3-4-6-10/h8-11H,3-7H2,1-2H3
InChIKeyKSXKGYAXYFEHBV-UHFFFAOYSA-N
MW363.38 g/mol
LogP5.74
Rot. Bonds2

About 4,6-dichloro-5-cyclopentyl-2-(5,6-dimethyl-1,4-dithian-2-yl)pyrimidine

4,6-dichloro-5-cyclopentyl-2-(5,6-dimethyl-1,4-dithian-2-yl)pyrimidine (PubChem CID 103344692) has the molecular formula C15H20Cl2N2S2 and a molecular weight of 363.38 g/mol. Its IUPAC name is 4,6-dichloro-5-cyclopentyl-2-(5,6-dimethyl-1,4-dithian-2-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-cyclopentyl-2-(5,6-dimethyl-1,4-dithian-2-yl)pyrimidine
PubChem CID103344692
Molecular FormulaC15H20Cl2N2S2
Molecular Weight363.38 g/mol
Exact Mass362.04
IUPAC Name4,6-dichloro-5-cyclopentyl-2-(5,6-dimethyl-1,4-dithian-2-yl)pyrimidine
SMILESCC1SCC(c2nc(Cl)c(C3CCCC3)c(Cl)n2)SC1C
InChIInChI=1S/C15H20Cl2N2S2/c1-8-9(2)21-11(7-20-8)15-18-13(16)12(14(17)19-15)10-5-3-4-6-10/h8-11H,3-7H2,1-2H3
InChIKeyKSXKGYAXYFEHBV-UHFFFAOYSA-N
XLogP5.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.38
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,6-dichloro-5-cyclopentyl-2-(5,6-dimethyl-1,4-dithian-2-yl)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 4,6-dichloro-5-cyclopentyl-2-(5,6-dimethyl-1,4-dithian-2-yl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-cyclopentyl-2-(5,6-dimethyl-1,4-dithian-2-yl)pyrimidine (CID 103344692) is 4,6-dichloro-5-cyclopentyl-2-(5,6-dimethyl-1,4-dithian-2-yl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-cyclopentyl-2-(5,6-dimethyl-1,4-dithian-2-yl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-cyclopentyl-2-(5,6-dimethyl-1,4-dithian-2-yl)pyrimidine is CC1SCC(c2nc(Cl)c(C3CCCC3)c(Cl)n2)SC1C.
What is the InChIKey of 4,6-dichloro-5-cyclopentyl-2-(5,6-dimethyl-1,4-dithian-2-yl)pyrimidine?
The InChIKey is KSXKGYAXYFEHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2S2/c1-8-9(2)21-11(7-20-8)15-18-13(16)12(14(17)19-15)10-5-3-4-6-10/h8-11H,3-7H2,1-2H3.
What are the key properties of 4,6-dichloro-5-cyclopentyl-2-(5,6-dimethyl-1,4-dithian-2-yl)pyrimidine?
4,6-dichloro-5-cyclopentyl-2-(5,6-dimethyl-1,4-dithian-2-yl)pyrimidine has a molecular weight of 363.38 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-cyclopentyl-2-(5,6-dimethyl-1,4-dithian-2-yl)pyrimidine is sourced from PubChem (CID 103344692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).