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

C12H12F2N4OS — CID 80887729

IUPAC4-(3,4-difluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(N)nc(Sc2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H12F2N4OS/c1-6(2)19-11-16-10(15)17-12(18-11)20-7-3-4-8(13)9(14)5-7/h3-6H,1-2H3,(H2,15,16,17,18)
InChIKeyAITQLUCSNPMOBN-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.67
Rot. Bonds4

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

4-(3,4-difluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 80887729) has the molecular formula C12H12F2N4OS and a molecular weight of 298.32 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID80887729
Molecular FormulaC12H12F2N4OS
Molecular Weight298.32 g/mol
Exact Mass298.07
IUPAC Name4-(3,4-difluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(N)nc(Sc2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H12F2N4OS/c1-6(2)19-11-16-10(15)17-12(18-11)20-7-3-4-8(13)9(14)5-7/h3-6H,1-2H3,(H2,15,16,17,18)
InChIKeyAITQLUCSNPMOBN-UHFFFAOYSA-N
XLogP2.67
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-fluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80883341
4-propan-2-yloxy-6-(4-propan-2-ylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80872521
4-(3,4-difluorophenyl)sulfanyl-6-methylpyrimidin-2-amine
CID 112724397
4-(2,4-difluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80862644
4-(3-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-amine
CID 80894655
4-benzylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80887476
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-[(3,5-dimethylphenyl)methylsulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80887289
4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80886826
2-N-(3,5-difluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80762087
4-(3,4-difluorophenyl)sulfanylbenzene-1,2-diamine
CID 106748746
4-(2-methyl-4-pyridinyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 113482951

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3,4-difluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 80887729) is 4-(3,4-difluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3,4-difluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3,4-difluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine is CC(C)Oc1nc(N)nc(Sc2ccc(F)c(F)c2)n1.
What is the InChIKey of 4-(3,4-difluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is AITQLUCSNPMOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4OS/c1-6(2)19-11-16-10(15)17-12(18-11)20-7-3-4-8(13)9(14)5-7/h3-6H,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-(3,4-difluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-(3,4-difluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 298.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80887729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).