4-chloro-6-ethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidine

C14H15ClN2S — CID 66094645

IUPAC4-chloro-6-ethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidine
SMILESCCc1cc(Cl)nc(CSc2ccccc2C)n1
InChIInChI=1S/C14H15ClN2S/c1-3-11-8-13(15)17-14(16-11)9-18-12-7-5-4-6-10(12)2/h4-8H,3,9H2,1-2H3
InChIKeyOVUAOPUNZJQBQF-UHFFFAOYSA-N
MW278.81 g/mol
LogP4.29
Rot. Bonds4

About 4-chloro-6-ethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidine

4-chloro-6-ethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidine (PubChem CID 66094645) has the molecular formula C14H15ClN2S and a molecular weight of 278.81 g/mol. Its IUPAC name is 4-chloro-6-ethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-ethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidine
PubChem CID66094645
Molecular FormulaC14H15ClN2S
Molecular Weight278.81 g/mol
Exact Mass278.06
IUPAC Name4-chloro-6-ethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidine
SMILESCCc1cc(Cl)nc(CSc2ccccc2C)n1
InChIInChI=1S/C14H15ClN2S/c1-3-11-8-13(15)17-14(16-11)9-18-12-7-5-4-6-10(12)2/h4-8H,3,9H2,1-2H3
InChIKeyOVUAOPUNZJQBQF-UHFFFAOYSA-N
XLogP4.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.81
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-6-ethyl-2-[(2-methylphenyl)sulfanylmethyl]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-[(2-methylphenyl)sulfanylmethyl]pyrimidine?
The IUPAC name of 4-chloro-6-ethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidine (CID 66094645) is 4-chloro-6-ethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidine.
What is the SMILES notation for 4-chloro-6-ethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidine?
The canonical SMILES for 4-chloro-6-ethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidine is CCc1cc(Cl)nc(CSc2ccccc2C)n1.
What is the InChIKey of 4-chloro-6-ethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidine?
The InChIKey is OVUAOPUNZJQBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2S/c1-3-11-8-13(15)17-14(16-11)9-18-12-7-5-4-6-10(12)2/h4-8H,3,9H2,1-2H3.
What are the key properties of 4-chloro-6-ethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidine?
4-chloro-6-ethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidine has a molecular weight of 278.81 g/mol, XLogP of 4.29, 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-[(2-methylphenyl)sulfanylmethyl]pyrimidine is sourced from PubChem (CID 66094645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).