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

C12H12N4OS — CID 83084227

IUPAC4-(2,3-dihydro-1-benzofuran-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C2COc3ccccc32)n1
InChIInChI=1S/C12H12N4OS/c1-18-12-15-10(14-11(13)16-12)8-6-17-9-5-3-2-4-7(8)9/h2-5,8H,6H2,1H3,(H2,13,14,15,16)
InChIKeyXXGMOGBCNDIPEG-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.70
Rot. Bonds2

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

4-(2,3-dihydro-1-benzofuran-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 83084227) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID83084227
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name4-(2,3-dihydro-1-benzofuran-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C2COc3ccccc32)n1
InChIInChI=1S/C12H12N4OS/c1-18-12-15-10(14-11(13)16-12)8-6-17-9-5-3-2-4-7(8)9/h2-5,8H,6H2,1H3,(H2,13,14,15,16)
InChIKeyXXGMOGBCNDIPEG-UHFFFAOYSA-N
XLogP1.70
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,3-dihydro-1-benzofuran-3-yl)-5-methylpyrimidin-4-yl]methanol
CID 114245014
methyl 4-amino-2-(2,3-dihydro-1-benzofuran-3-yl)pyrimidine-5-carboxylate
CID 116646662
2-(2,3-dihydro-1-benzofuran-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79820809
2-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 106109342
1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-amine
CID 102547899
5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-4-amine
CID 66298443
2-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82764129
2-(2,3-dihydro-1-benzofuran-3-yl)-4,5-difluoro-1H-benzimidazole
CID 115911961
(3R)-2,3-dihydro-1-benzofuran-3-amine
CID 40787193
4-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,5-triazin-2-amine
CID 65356241
3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-amine
CID 65406401
(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 68776309

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 83084227) is 4-(2,3-dihydro-1-benzofuran-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine is CSc1nc(N)nc(C2COc3ccccc32)n1.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is XXGMOGBCNDIPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-18-12-15-10(14-11(13)16-12)8-6-17-9-5-3-2-4-7(8)9/h2-5,8H,6H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-(2,3-dihydro-1-benzofuran-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-(2,3-dihydro-1-benzofuran-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 260.32 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 83084227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).