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

C7H11FN4S — CID 11275703

IUPAC4-(2-fluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C(C)(C)F)n1
InChIInChI=1S/C7H11FN4S/c1-7(2,8)4-10-5(9)12-6(11-4)13-3/h1-3H3,(H2,9,10,11,12)
InChIKeyXUNFRPAQSZNIFJ-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.38
Rot. Bonds2

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

4-(2-fluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 11275703) has the molecular formula C7H11FN4S and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-(2-fluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-fluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID11275703
Molecular FormulaC7H11FN4S
Molecular Weight202.26 g/mol
Exact Mass202.07
IUPAC Name4-(2-fluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C(C)(C)F)n1
InChIInChI=1S/C7H11FN4S/c1-7(2,8)4-10-5(9)12-6(11-4)13-3/h1-3H3,(H2,9,10,11,12)
InChIKeyXUNFRPAQSZNIFJ-UHFFFAOYSA-N
XLogP1.38
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.38
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-(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-Fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 91440186
N-[4-(2-fluoropropan-2-yl)-6-methyl-1,3,5-triazin-2-yl]thiohydroxylamine
CID 175303498
4-(Tert-butyl)-6-(methylthio)-1,3,5-triazin-2-amine
CID 2782087
4-(Ethylthio)-6-isopropyl-1,3,5-triazin-2-amine
CID 2782091

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-fluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 11275703) is 4-(2-fluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-fluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-fluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine is CSc1nc(N)nc(C(C)(C)F)n1.
What is the InChIKey of 4-(2-fluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is XUNFRPAQSZNIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN4S/c1-7(2,8)4-10-5(9)12-6(11-4)13-3/h1-3H3,(H2,9,10,11,12).
What are the key properties of 4-(2-fluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-(2-fluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 202.26 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 11275703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).