4-chloro-6-ethyl-2-(propan-2-ylsulfanylmethyl)pyrimidine

C10H15ClN2S — CID 65134034

IUPAC4-chloro-6-ethyl-2-(propan-2-ylsulfanylmethyl)pyrimidine
SMILESCCc1cc(Cl)nc(CSC(C)C)n1
InChIInChI=1S/C10H15ClN2S/c1-4-8-5-9(11)13-10(12-8)6-14-7(2)3/h5,7H,4,6H2,1-3H3
InChIKeyHRVXNCKDRASHIS-UHFFFAOYSA-N
MW230.76 g/mol
LogP3.33
Rot. Bonds4

About 4-chloro-6-ethyl-2-(propan-2-ylsulfanylmethyl)pyrimidine

4-chloro-6-ethyl-2-(propan-2-ylsulfanylmethyl)pyrimidine (PubChem CID 65134034) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is 4-chloro-6-ethyl-2-(propan-2-ylsulfanylmethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-ethyl-2-(propan-2-ylsulfanylmethyl)pyrimidine
PubChem CID65134034
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC Name4-chloro-6-ethyl-2-(propan-2-ylsulfanylmethyl)pyrimidine
SMILESCCc1cc(Cl)nc(CSC(C)C)n1
InChIInChI=1S/C10H15ClN2S/c1-4-8-5-9(11)13-10(12-8)6-14-7(2)3/h5,7H,4,6H2,1-3H3
InChIKeyHRVXNCKDRASHIS-UHFFFAOYSA-N
XLogP3.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-6-ethyl-2-(propan-2-ylsulfanylmethyl)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-6-ethyl-2-(propan-2-ylsulfanylmethyl)pyrimidine?
The IUPAC name of 4-chloro-6-ethyl-2-(propan-2-ylsulfanylmethyl)pyrimidine (CID 65134034) is 4-chloro-6-ethyl-2-(propan-2-ylsulfanylmethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-ethyl-2-(propan-2-ylsulfanylmethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-ethyl-2-(propan-2-ylsulfanylmethyl)pyrimidine is CCc1cc(Cl)nc(CSC(C)C)n1.
What is the InChIKey of 4-chloro-6-ethyl-2-(propan-2-ylsulfanylmethyl)pyrimidine?
The InChIKey is HRVXNCKDRASHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S/c1-4-8-5-9(11)13-10(12-8)6-14-7(2)3/h5,7H,4,6H2,1-3H3.
What are the key properties of 4-chloro-6-ethyl-2-(propan-2-ylsulfanylmethyl)pyrimidine?
4-chloro-6-ethyl-2-(propan-2-ylsulfanylmethyl)pyrimidine has a molecular weight of 230.76 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-2-(propan-2-ylsulfanylmethyl)pyrimidine is sourced from PubChem (CID 65134034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).