6-(difluoromethyl)-2-N-(1-methylsulfanylbutan-2-yl)-1,3,5-triazine-2,4-diamine

C9H15F2N5S — CID 136558016

IUPAC6-(difluoromethyl)-2-N-(1-methylsulfanylbutan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCC(CSC)Nc1nc(N)nc(C(F)F)n1
InChIInChI=1S/C9H15F2N5S/c1-3-5(4-17-2)13-9-15-7(6(10)11)14-8(12)16-9/h5-6H,3-4H2,1-2H3,(H3,12,13,14,15,16)
InChIKeyTVRMEUZCCAVMAD-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.94
Rot. Bonds6

About 6-(difluoromethyl)-2-N-(1-methylsulfanylbutan-2-yl)-1,3,5-triazine-2,4-diamine

6-(difluoromethyl)-2-N-(1-methylsulfanylbutan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 136558016) has the molecular formula C9H15F2N5S and a molecular weight of 263.32 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-N-(1-methylsulfanylbutan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(difluoromethyl)-2-N-(1-methylsulfanylbutan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID136558016
Molecular FormulaC9H15F2N5S
Molecular Weight263.32 g/mol
Exact Mass263.10
IUPAC Name6-(difluoromethyl)-2-N-(1-methylsulfanylbutan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCC(CSC)Nc1nc(N)nc(C(F)F)n1
InChIInChI=1S/C9H15F2N5S/c1-3-5(4-17-2)13-9-15-7(6(10)11)14-8(12)16-9/h5-6H,3-4H2,1-2H3,(H3,12,13,14,15,16)
InChIKeyTVRMEUZCCAVMAD-UHFFFAOYSA-N
XLogP1.94
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-N-(1-methylsulfanylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(difluoromethyl)-2-N-(1-methylsulfanylbutan-2-yl)-1,3,5-triazine-2,4-diamine (CID 136558016) is 6-(difluoromethyl)-2-N-(1-methylsulfanylbutan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(difluoromethyl)-2-N-(1-methylsulfanylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(difluoromethyl)-2-N-(1-methylsulfanylbutan-2-yl)-1,3,5-triazine-2,4-diamine is CCC(CSC)Nc1nc(N)nc(C(F)F)n1.
What is the InChIKey of 6-(difluoromethyl)-2-N-(1-methylsulfanylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is TVRMEUZCCAVMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N5S/c1-3-5(4-17-2)13-9-15-7(6(10)11)14-8(12)16-9/h5-6H,3-4H2,1-2H3,(H3,12,13,14,15,16).
What are the key properties of 6-(difluoromethyl)-2-N-(1-methylsulfanylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
6-(difluoromethyl)-2-N-(1-methylsulfanylbutan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 263.32 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2-N-(1-methylsulfanylbutan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 136558016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).