6-(6-methylsulfanyl-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine

C15H16F6N6S — CID 170162210

IUPAC6-(6-methylsulfanyl-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCSc1cccc(-c2nc(NC(C)C(F)(F)F)nc(NC(C)C(F)(F)F)n2)n1
InChIInChI=1S/C15H16F6N6S/c1-7(14(16,17)18)22-12-25-11(9-5-4-6-10(24-9)28-3)26-13(27-12)23-8(2)15(19,20)21/h4-8H,1-3H3,(H2,22,23,25,26,27)
InChIKeyKUNRVODWGULPIF-UHFFFAOYSA-N
MW426.39 g/mol
LogP4.38
Rot. Bonds6

About 6-(6-methylsulfanyl-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine

6-(6-methylsulfanyl-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 170162210) has the molecular formula C15H16F6N6S and a molecular weight of 426.39 g/mol. Its IUPAC name is 6-(6-methylsulfanyl-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(6-methylsulfanyl-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID170162210
Molecular FormulaC15H16F6N6S
Molecular Weight426.39 g/mol
Exact Mass426.11
IUPAC Name6-(6-methylsulfanyl-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCSc1cccc(-c2nc(NC(C)C(F)(F)F)nc(NC(C)C(F)(F)F)n2)n1
InChIInChI=1S/C15H16F6N6S/c1-7(14(16,17)18)22-12-25-11(9-5-4-6-10(24-9)28-3)26-13(27-12)23-8(2)15(19,20)21/h4-8H,1-3H3,(H2,22,23,25,26,27)
InChIKeyKUNRVODWGULPIF-UHFFFAOYSA-N
XLogP4.38
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methylsulfanyl-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(6-methylsulfanyl-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (CID 170162210) is 6-(6-methylsulfanyl-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(6-methylsulfanyl-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(6-methylsulfanyl-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is CSc1cccc(-c2nc(NC(C)C(F)(F)F)nc(NC(C)C(F)(F)F)n2)n1.
What is the InChIKey of 6-(6-methylsulfanyl-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is KUNRVODWGULPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F6N6S/c1-7(14(16,17)18)22-12-25-11(9-5-4-6-10(24-9)28-3)26-13(27-12)23-8(2)15(19,20)21/h4-8H,1-3H3,(H2,22,23,25,26,27).
What are the key properties of 6-(6-methylsulfanyl-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
6-(6-methylsulfanyl-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 426.39 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methylsulfanyl-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 170162210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).