4-chloro-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine

C8H8ClN5S — CID 104603371

IUPAC4-chloro-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
SMILESCc1c(Cl)ncnc1Sc1ncnn1C
InChIInChI=1S/C8H8ClN5S/c1-5-6(9)10-3-11-7(5)15-8-12-4-13-14(8)2/h3-4H,1-2H3
InChIKeyOBWNMAIMTKXDBT-UHFFFAOYSA-N
MW241.71 g/mol
LogP1.72
Rot. Bonds2

About 4-chloro-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine

4-chloro-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine (PubChem CID 104603371) has the molecular formula C8H8ClN5S and a molecular weight of 241.71 g/mol. Its IUPAC name is 4-chloro-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
PubChem CID104603371
Molecular FormulaC8H8ClN5S
Molecular Weight241.71 g/mol
Exact Mass241.02
IUPAC Name4-chloro-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
SMILESCc1c(Cl)ncnc1Sc1ncnn1C
InChIInChI=1S/C8H8ClN5S/c1-5-6(9)10-3-11-7(5)15-8-12-4-13-14(8)2/h3-4H,1-2H3
InChIKeyOBWNMAIMTKXDBT-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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Related Compounds

2-chloro-5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine
CID 104603400
4-chloro-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-5-methylpyrimidine
CID 63732291
2-chloro-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine
CID 104603377
3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine
CID 102989027
6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyrimidin-4-amine
CID 104604941
4-chloro-5-methyl-6-pyrimidin-4-ylsulfanylpyrimidine
CID 63732721
N-ethyl-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidin-4-amine
CID 104604999
5-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 104604989
2-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-7H-purine
CID 104787572
2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 104603418
4-chloro-5-methyl-6-(3-methylphenyl)sulfanylpyrimidine
CID 63732712
2-tert-butyl-N,5-dimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine
CID 104604881

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
The IUPAC name of 4-chloro-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine (CID 104603371) is 4-chloro-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
The canonical SMILES for 4-chloro-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine is Cc1c(Cl)ncnc1Sc1ncnn1C.
What is the InChIKey of 4-chloro-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
The InChIKey is OBWNMAIMTKXDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5S/c1-5-6(9)10-3-11-7(5)15-8-12-4-13-14(8)2/h3-4H,1-2H3.
What are the key properties of 4-chloro-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
4-chloro-5-methyl-6-[(2-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-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine is sourced from PubChem (CID 104603371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).