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

C9H10ClN5S — CID 63730608

IUPAC4-chloro-2,5-dimethyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
SMILESCc1nc(Cl)c(C)c(Sc2nncn2C)n1
InChIInChI=1S/C9H10ClN5S/c1-5-7(10)12-6(2)13-8(5)16-9-14-11-4-15(9)3/h4H,1-3H3
InChIKeyCKSPYIZPGJEIRO-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.03
Rot. Bonds2

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

4-chloro-2,5-dimethyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine (PubChem CID 63730608) has the molecular formula C9H10ClN5S and a molecular weight of 255.73 g/mol. Its IUPAC name is 4-chloro-2,5-dimethyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-2,5-dimethyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
PubChem CID63730608
Molecular FormulaC9H10ClN5S
Molecular Weight255.73 g/mol
Exact Mass255.03
IUPAC Name4-chloro-2,5-dimethyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
SMILESCc1nc(Cl)c(C)c(Sc2nncn2C)n1
InChIInChI=1S/C9H10ClN5S/c1-5-7(10)12-6(2)13-8(5)16-9-14-11-4-15(9)3/h4H,1-3H3
InChIKeyCKSPYIZPGJEIRO-UHFFFAOYSA-N
XLogP2.03
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
The IUPAC name of 4-chloro-2,5-dimethyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine (CID 63730608) is 4-chloro-2,5-dimethyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine.
What is the SMILES notation for 4-chloro-2,5-dimethyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
The canonical SMILES for 4-chloro-2,5-dimethyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine is Cc1nc(Cl)c(C)c(Sc2nncn2C)n1.
What is the InChIKey of 4-chloro-2,5-dimethyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
The InChIKey is CKSPYIZPGJEIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5S/c1-5-7(10)12-6(2)13-8(5)16-9-14-11-4-15(9)3/h4H,1-3H3.
What are the key properties of 4-chloro-2,5-dimethyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
4-chloro-2,5-dimethyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine has a molecular weight of 255.73 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine is sourced from PubChem (CID 63730608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).