4-methylsulfanyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine

C7H9F3N4S — CID 83083995

IUPAC4-methylsulfanyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(CCC(F)(F)F)n1
InChIInChI=1S/C7H9F3N4S/c1-15-6-13-4(12-5(11)14-6)2-3-7(8,9)10/h2-3H2,1H3,(H2,11,12,13,14)
InChIKeyUTOLOWYPYKFBBH-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.67
Rot. Bonds3

About 4-methylsulfanyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine

4-methylsulfanyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine (PubChem CID 83083995) has the molecular formula C7H9F3N4S and a molecular weight of 238.24 g/mol. Its IUPAC name is 4-methylsulfanyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
PubChem CID83083995
Molecular FormulaC7H9F3N4S
Molecular Weight238.24 g/mol
Exact Mass238.05
IUPAC Name4-methylsulfanyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(CCC(F)(F)F)n1
InChIInChI=1S/C7H9F3N4S/c1-15-6-13-4(12-5(11)14-6)2-3-7(8,9)10/h2-3H2,1H3,(H2,11,12,13,14)
InChIKeyUTOLOWYPYKFBBH-UHFFFAOYSA-N
XLogP1.67
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Cyclopropyl-6-(methylthio)-1,3,5-triazin-2-amine
CID 602660
1,3,5-Triazin-2-amine, 4-methyl-6-(methylthio)-
CID 214051
4-(Methylsulfanyl)-6-(propan-2-yl)-1,3,5-triazin-2-amine
CID 2782086
1,3,5-Triazin-2-amine, 4-ethyl-N-methyl-6-(methylthio)-
CID 3044745
4-(Methylsulfanyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 22244968
4-Ethyl-6-(methylsulfanyl)-1,3,5-triazin-2-amine
CID 66490758
4-(2-Fluoropropan-2-yl)-6-(methylthio)-1,3,5-triazin-2-amine
CID 11275703
6-(3,3,3-Trifluoropropyl)-1,3,5-triazine-2,4-diamine
CID 14512642
4-(1-Fluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 15430911
2-Amino-4-methylthio-6-(1-fluoroethyl)-1,3,5-triazine
CID 22244965
6-(2,2-Difluoropropyl)-1,3,5-triazine-2,4-diamine
CID 130889701
6-(2,3,3-Trifluoropropyl)-1,3,5-triazine-2,4-diamine
CID 175419385

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methylsulfanyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine (CID 83083995) is 4-methylsulfanyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methylsulfanyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine is CSc1nc(N)nc(CCC(F)(F)F)n1.
What is the InChIKey of 4-methylsulfanyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
The InChIKey is UTOLOWYPYKFBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4S/c1-15-6-13-4(12-5(11)14-6)2-3-7(8,9)10/h2-3H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-methylsulfanyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
4-methylsulfanyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine has a molecular weight of 238.24 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 83083995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).