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

C7H11FN4S — CID 15430911

IUPAC4-(1-fluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C(C)CF)n1
InChIInChI=1S/C7H11FN4S/c1-4(3-8)5-10-6(9)12-7(11-5)13-2/h4H,3H2,1-2H3,(H2,9,10,11,12)
InChIKeyQXGRAEALISZPKG-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.25
Rot. Bonds3

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

4-(1-fluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 15430911) has the molecular formula C7H11FN4S and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-(1-fluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1-fluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID15430911
Molecular FormulaC7H11FN4S
Molecular Weight202.26 g/mol
Exact Mass202.07
IUPAC Name4-(1-fluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C(C)CF)n1
InChIInChI=1S/C7H11FN4S/c1-4(3-8)5-10-6(9)12-7(11-5)13-2/h4H,3H2,1-2H3,(H2,9,10,11,12)
InChIKeyQXGRAEALISZPKG-UHFFFAOYSA-N
XLogP1.25
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.25
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-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
4-Chloro-6-(1-fluoropropan-2-yl)-1,3,5-triazin-2-amine
CID 15430912
2-Amino-4-methylthio-6-(1-fluoroethyl)-1,3,5-triazine
CID 22244965
4-(2-Fluoropropan-2-yl)-6-methyl-1,3,5-triazin-2-amine
CID 59096536
6-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 140663823
6-(1,1,1-Trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 141432656
6-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 162483941

Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1-fluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 15430911) is 4-(1-fluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1-fluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1-fluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine is CSc1nc(N)nc(C(C)CF)n1.
What is the InChIKey of 4-(1-fluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is QXGRAEALISZPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN4S/c1-4(3-8)5-10-6(9)12-7(11-5)13-2/h4H,3H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 4-(1-fluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-(1-fluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 202.26 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 15430911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).