4-(2,4-difluorophenyl)sulfanyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine

C12H12F2N4OS — CID 80893899

IUPAC4-(2,4-difluorophenyl)sulfanyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(Sc2ccc(F)cc2F)n1
InChIInChI=1S/C12H12F2N4OS/c1-3-15-10-16-11(19-2)18-12(17-10)20-9-5-4-7(13)6-8(9)14/h4-6H,3H2,1-2H3,(H,15,16,17,18)
InChIKeyFDCDMVRFOHGFTD-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.74
Rot. Bonds5

About 4-(2,4-difluorophenyl)sulfanyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine

4-(2,4-difluorophenyl)sulfanyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 80893899) has the molecular formula C12H12F2N4OS and a molecular weight of 298.32 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)sulfanyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)sulfanyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
PubChem CID80893899
Molecular FormulaC12H12F2N4OS
Molecular Weight298.32 g/mol
Exact Mass298.07
IUPAC Name4-(2,4-difluorophenyl)sulfanyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(Sc2ccc(F)cc2F)n1
InChIInChI=1S/C12H12F2N4OS/c1-3-15-10-16-11(19-2)18-12(17-10)20-9-5-4-7(13)6-8(9)14/h4-6H,3H2,1-2H3,(H,15,16,17,18)
InChIKeyFDCDMVRFOHGFTD-UHFFFAOYSA-N
XLogP2.74
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]pyrimidine-4,6-diamine
CID 80885688
N-ethyl-4-methoxy-6-(4-propan-2-ylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80872033
4-(3,4-dimethylphenyl)sulfanyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80893106
2-N-(2-chloro-4-fluorophenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80756168
4-N-ethyl-2-N-(4-fluoro-2-iodophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80849919
N-ethyl-4-methoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80888545
4-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 46734070
4-ethoxy-N-ethyl-6-(3-fluorophenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80894947
4-N-ethyl-2-N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80773421
N-ethyl-4-(2-fluoro-3-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 82812218
3,5-dichloro-6-(2,4-difluorophenyl)sulfanyl-N-ethylpyridin-2-amine
CID 102761292
N-ethyl-4-methoxy-6-[(3-methylphenyl)methylsulfanyl]-1,3,5-triazin-2-amine
CID 80890079

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)sulfanyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,4-difluorophenyl)sulfanyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine (CID 80893899) is 4-(2,4-difluorophenyl)sulfanyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)sulfanyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)sulfanyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine is CCNc1nc(OC)nc(Sc2ccc(F)cc2F)n1.
What is the InChIKey of 4-(2,4-difluorophenyl)sulfanyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is FDCDMVRFOHGFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4OS/c1-3-15-10-16-11(19-2)18-12(17-10)20-9-5-4-7(13)6-8(9)14/h4-6H,3H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4-(2,4-difluorophenyl)sulfanyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
4-(2,4-difluorophenyl)sulfanyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 298.32 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)sulfanyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80893899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).