4-chloro-6-ethylsulfanyl-5-methylpyrimidine

C7H9ClN2S — CID 63728556

IUPAC4-chloro-6-ethylsulfanyl-5-methylpyrimidine
SMILESCCSc1ncnc(Cl)c1C
InChIInChI=1S/C7H9ClN2S/c1-3-11-7-5(2)6(8)9-4-10-7/h4H,3H2,1-2H3
InChIKeyKYBBXHOXQUKDKK-UHFFFAOYSA-N
MW188.68 g/mol
LogP2.55
Rot. Bonds2

About 4-chloro-6-ethylsulfanyl-5-methylpyrimidine

4-chloro-6-ethylsulfanyl-5-methylpyrimidine (PubChem CID 63728556) has the molecular formula C7H9ClN2S and a molecular weight of 188.68 g/mol. Its IUPAC name is 4-chloro-6-ethylsulfanyl-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-ethylsulfanyl-5-methylpyrimidine
PubChem CID63728556
Molecular FormulaC7H9ClN2S
Molecular Weight188.68 g/mol
Exact Mass188.02
IUPAC Name4-chloro-6-ethylsulfanyl-5-methylpyrimidine
SMILESCCSc1ncnc(Cl)c1C
InChIInChI=1S/C7H9ClN2S/c1-3-11-7-5(2)6(8)9-4-10-7/h4H,3H2,1-2H3
InChIKeyKYBBXHOXQUKDKK-UHFFFAOYSA-N
XLogP2.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.68
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-6-ethylsulfanyl-5-methylpyrimidine 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-ethylsulfanyl-5-methylpyrimidine?
The IUPAC name of 4-chloro-6-ethylsulfanyl-5-methylpyrimidine (CID 63728556) is 4-chloro-6-ethylsulfanyl-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-ethylsulfanyl-5-methylpyrimidine?
The canonical SMILES for 4-chloro-6-ethylsulfanyl-5-methylpyrimidine is CCSc1ncnc(Cl)c1C.
What is the InChIKey of 4-chloro-6-ethylsulfanyl-5-methylpyrimidine?
The InChIKey is KYBBXHOXQUKDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2S/c1-3-11-7-5(2)6(8)9-4-10-7/h4H,3H2,1-2H3.
What are the key properties of 4-chloro-6-ethylsulfanyl-5-methylpyrimidine?
4-chloro-6-ethylsulfanyl-5-methylpyrimidine has a molecular weight of 188.68 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethylsulfanyl-5-methylpyrimidine is sourced from PubChem (CID 63728556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).