4-chloro-2-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine

C8H8ClN5S — CID 62482352

IUPAC4-chloro-2-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
SMILESCc1nc(Cl)cc(Sc2nncn2C)n1
InChIInChI=1S/C8H8ClN5S/c1-5-11-6(9)3-7(12-5)15-8-13-10-4-14(8)2/h3-4H,1-2H3
InChIKeyHEPDRUGESFAQBD-UHFFFAOYSA-N
MW241.71 g/mol
LogP1.72
Rot. Bonds2

About 4-chloro-2-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine

4-chloro-2-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine (PubChem CID 62482352) has the molecular formula C8H8ClN5S and a molecular weight of 241.71 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
PubChem CID62482352
Molecular FormulaC8H8ClN5S
Molecular Weight241.71 g/mol
Exact Mass241.02
IUPAC Name4-chloro-2-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
SMILESCc1nc(Cl)cc(Sc2nncn2C)n1
InChIInChI=1S/C8H8ClN5S/c1-5-11-6(9)3-7(12-5)15-8-13-10-4-14(8)2/h3-4H,1-2H3
InChIKeyHEPDRUGESFAQBD-UHFFFAOYSA-N
XLogP1.72
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.71
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
The IUPAC name of 4-chloro-2-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine (CID 62482352) is 4-chloro-2-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine.
What is the SMILES notation for 4-chloro-2-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
The canonical SMILES for 4-chloro-2-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine is Cc1nc(Cl)cc(Sc2nncn2C)n1.
What is the InChIKey of 4-chloro-2-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
The InChIKey is HEPDRUGESFAQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5S/c1-5-11-6(9)3-7(12-5)15-8-13-10-4-14(8)2/h3-4H,1-2H3.
What are the key properties of 4-chloro-2-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
4-chloro-2-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine has a molecular weight of 241.71 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine is sourced from PubChem (CID 62482352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).