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

C5H6F2N4S — CID 83083901

IUPAC4-(difluoromethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C(F)F)n1
InChIInChI=1S/C5H6F2N4S/c1-12-5-10-3(2(6)7)9-4(8)11-5/h2H,1H3,(H2,8,9,10,11)
InChIKeyNLRYGCSLRGHREU-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.11
Rot. Bonds2

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

4-(difluoromethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 83083901) has the molecular formula C5H6F2N4S and a molecular weight of 192.19 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID83083901
Molecular FormulaC5H6F2N4S
Molecular Weight192.19 g/mol
Exact Mass192.03
IUPAC Name4-(difluoromethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C(F)F)n1
InChIInChI=1S/C5H6F2N4S/c1-12-5-10-3(2(6)7)9-4(8)11-5/h2H,1H3,(H2,8,9,10,11)
InChIKeyNLRYGCSLRGHREU-UHFFFAOYSA-N
XLogP1.11
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,5-Triazin-2-amine, 4-methyl-6-(methylthio)-
CID 214051
4-(Ethylsulfanyl)-6-Methyl-1,3,5-Triazin-2-Amine
CID 2726596
s-Triazine, 2-amino-4-methyl-6-(trifluoromethyl)-
CID 168866
N,4-Dimethyl-6-(methylthio)-1,3,5-triazin-2-amine
CID 3044742
4-(Methylsulfanyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 22244968
4-Ethyl-6-(methylsulfanyl)-1,3,5-triazin-2-amine
CID 66490758
N,N-dimethyl-4-methylsulfanyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 21605223
6-(Difluoromethyl)-1,3,5-triazine-2,4-diamine
CID 44725305
4-(2-Fluoropropan-2-yl)-6-(methylthio)-1,3,5-triazin-2-amine
CID 11275703
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
2-(Difluoromethylsulfanyl)-4-methyl-1,3,5-triazine
CID 54453479

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(difluoromethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 83083901) is 4-(difluoromethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(difluoromethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(difluoromethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine is CSc1nc(N)nc(C(F)F)n1.
What is the InChIKey of 4-(difluoromethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is NLRYGCSLRGHREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N4S/c1-12-5-10-3(2(6)7)9-4(8)11-5/h2H,1H3,(H2,8,9,10,11).
What are the key properties of 4-(difluoromethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-(difluoromethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 192.19 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 83083901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).