2-methylsulfanyl-4,6-di(propan-2-yl)-1,3,5-triazine

C10H17N3S — CID 54471860

IUPAC2-methylsulfanyl-4,6-di(propan-2-yl)-1,3,5-triazine
SMILESCSc1nc(C(C)C)nc(C(C)C)n1
InChIInChI=1S/C10H17N3S/c1-6(2)8-11-9(7(3)4)13-10(12-8)14-5/h6-7H,1-5H3
InChIKeyXIXNGABMWBLMEI-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.84
Rot. Bonds3

About 2-methylsulfanyl-4,6-di(propan-2-yl)-1,3,5-triazine

2-methylsulfanyl-4,6-di(propan-2-yl)-1,3,5-triazine (PubChem CID 54471860) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-methylsulfanyl-4,6-di(propan-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-methylsulfanyl-4,6-di(propan-2-yl)-1,3,5-triazine
PubChem CID54471860
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name2-methylsulfanyl-4,6-di(propan-2-yl)-1,3,5-triazine
SMILESCSc1nc(C(C)C)nc(C(C)C)n1
InChIInChI=1S/C10H17N3S/c1-6(2)8-11-9(7(3)4)13-10(12-8)14-5/h6-7H,1-5H3
InChIKeyXIXNGABMWBLMEI-UHFFFAOYSA-N
XLogP2.84
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4,6-di(propan-2-yl)-1,3,5-triazine?
The IUPAC name of 2-methylsulfanyl-4,6-di(propan-2-yl)-1,3,5-triazine (CID 54471860) is 2-methylsulfanyl-4,6-di(propan-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-methylsulfanyl-4,6-di(propan-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-methylsulfanyl-4,6-di(propan-2-yl)-1,3,5-triazine is CSc1nc(C(C)C)nc(C(C)C)n1.
What is the InChIKey of 2-methylsulfanyl-4,6-di(propan-2-yl)-1,3,5-triazine?
The InChIKey is XIXNGABMWBLMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-6(2)8-11-9(7(3)4)13-10(12-8)14-5/h6-7H,1-5H3.
What are the key properties of 2-methylsulfanyl-4,6-di(propan-2-yl)-1,3,5-triazine?
2-methylsulfanyl-4,6-di(propan-2-yl)-1,3,5-triazine has a molecular weight of 211.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4,6-di(propan-2-yl)-1,3,5-triazine is sourced from PubChem (CID 54471860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).