4-chloro-6-(2-methylphenyl)sulfanyl-5-propylpyrimidine

C14H15ClN2S — CID 63730614

IUPAC4-chloro-6-(2-methylphenyl)sulfanyl-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1Sc1ccccc1C
InChIInChI=1S/C14H15ClN2S/c1-3-6-11-13(15)16-9-17-14(11)18-12-8-5-4-7-10(12)2/h4-5,7-9H,3,6H2,1-2H3
InChIKeyITDGIJMQUOOQNR-UHFFFAOYSA-N
MW278.81 g/mol
LogP4.54
Rot. Bonds4

About 4-chloro-6-(2-methylphenyl)sulfanyl-5-propylpyrimidine

4-chloro-6-(2-methylphenyl)sulfanyl-5-propylpyrimidine (PubChem CID 63730614) has the molecular formula C14H15ClN2S and a molecular weight of 278.81 g/mol. Its IUPAC name is 4-chloro-6-(2-methylphenyl)sulfanyl-5-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-methylphenyl)sulfanyl-5-propylpyrimidine
PubChem CID63730614
Molecular FormulaC14H15ClN2S
Molecular Weight278.81 g/mol
Exact Mass278.06
IUPAC Name4-chloro-6-(2-methylphenyl)sulfanyl-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1Sc1ccccc1C
InChIInChI=1S/C14H15ClN2S/c1-3-6-11-13(15)16-9-17-14(11)18-12-8-5-4-7-10(12)2/h4-5,7-9H,3,6H2,1-2H3
InChIKeyITDGIJMQUOOQNR-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-methylphenyl)sulfanyl-5-propylpyrimidine?
The IUPAC name of 4-chloro-6-(2-methylphenyl)sulfanyl-5-propylpyrimidine (CID 63730614) is 4-chloro-6-(2-methylphenyl)sulfanyl-5-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2-methylphenyl)sulfanyl-5-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(2-methylphenyl)sulfanyl-5-propylpyrimidine is CCCc1c(Cl)ncnc1Sc1ccccc1C.
What is the InChIKey of 4-chloro-6-(2-methylphenyl)sulfanyl-5-propylpyrimidine?
The InChIKey is ITDGIJMQUOOQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2S/c1-3-6-11-13(15)16-9-17-14(11)18-12-8-5-4-7-10(12)2/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of 4-chloro-6-(2-methylphenyl)sulfanyl-5-propylpyrimidine?
4-chloro-6-(2-methylphenyl)sulfanyl-5-propylpyrimidine has a molecular weight of 278.81 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-methylphenyl)sulfanyl-5-propylpyrimidine is sourced from PubChem (CID 63730614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).