4-(4-fluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine

C12H13FN4OS — CID 80883341

IUPAC4-(4-fluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(N)nc(Sc2ccc(F)cc2)n1
InChIInChI=1S/C12H13FN4OS/c1-7(2)18-11-15-10(14)16-12(17-11)19-9-5-3-8(13)4-6-9/h3-7H,1-2H3,(H2,14,15,16,17)
InChIKeyZQJCXVYHBBRFGN-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.53
Rot. Bonds4

About 4-(4-fluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-(4-fluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 80883341) has the molecular formula C12H13FN4OS and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID80883341
Molecular FormulaC12H13FN4OS
Molecular Weight280.33 g/mol
Exact Mass280.08
IUPAC Name4-(4-fluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(N)nc(Sc2ccc(F)cc2)n1
InChIInChI=1S/C12H13FN4OS/c1-7(2)18-11-15-10(14)16-12(17-11)19-9-5-3-8(13)4-6-9/h3-7H,1-2H3,(H2,14,15,16,17)
InChIKeyZQJCXVYHBBRFGN-UHFFFAOYSA-N
XLogP2.53
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,4-difluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80887729
4-propan-2-yloxy-6-(4-propan-2-ylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80872521
3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 80891784
4-(2,4-difluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80862644
4-benzylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80887476
4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80886826
4-(4-propan-2-ylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80872646
(4-phenylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine
CID 80923978
4-(3-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-amine
CID 80894655
2-N-(3,5-difluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80762087
4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80887289
3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol
CID 80890555

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-fluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 80883341) is 4-(4-fluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine is CC(C)Oc1nc(N)nc(Sc2ccc(F)cc2)n1.
What is the InChIKey of 4-(4-fluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is ZQJCXVYHBBRFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4OS/c1-7(2)18-11-15-10(14)16-12(17-11)19-9-5-3-8(13)4-6-9/h3-7H,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-(4-fluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-(4-fluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 280.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80883341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).