4-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-1,3,5-triazin-2-amine

C11H11FN4S — CID 66085806

IUPAC4-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(CSc2ccccc2F)n1
InChIInChI=1S/C11H11FN4S/c1-7-14-10(16-11(13)15-7)6-17-9-5-3-2-4-8(9)12/h2-5H,6H2,1H3,(H2,13,14,15,16)
InChIKeyMZTJPJVBYLHMIW-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.19
Rot. Bonds3

About 4-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-1,3,5-triazin-2-amine

4-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 66085806) has the molecular formula C11H11FN4S and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID66085806
Molecular FormulaC11H11FN4S
Molecular Weight250.30 g/mol
Exact Mass250.07
IUPAC Name4-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(CSc2ccccc2F)n1
InChIInChI=1S/C11H11FN4S/c1-7-14-10(16-11(13)15-7)6-17-9-5-3-2-4-8(9)12/h2-5H,6H2,1H3,(H2,13,14,15,16)
InChIKeyMZTJPJVBYLHMIW-UHFFFAOYSA-N
XLogP2.19
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-6-[(2-methylphenyl)sulfanylmethyl]-1,3,5-triazin-2-amine
CID 66096995
2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-6-methylpyrimidin-4-amine
CID 66305099
4-cyclopentyl-6-[(2-fluorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine
CID 66083075
4,6-dichloro-5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidine
CID 80550431
[2-[(2-fluorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanamine
CID 114245147
4,6-dichloro-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidine
CID 66052660
3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-amine
CID 66053977
4,6-dichloro-2-[(2-fluorophenyl)sulfanylmethyl]-5-iodopyrimidine
CID 66316422
5-bromo-2-[(2-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 66299180
4-[(2-methylphenyl)sulfanylmethyl]-6-propan-2-yl-1,3,5-triazin-2-amine
CID 66097202
2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66306504
2-[(2-fluorophenyl)sulfanylmethyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 66053879

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-1,3,5-triazin-2-amine (CID 66085806) is 4-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-1,3,5-triazin-2-amine is Cc1nc(N)nc(CSc2ccccc2F)n1.
What is the InChIKey of 4-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is MZTJPJVBYLHMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4S/c1-7-14-10(16-11(13)15-7)6-17-9-5-3-2-4-8(9)12/h2-5H,6H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-1,3,5-triazin-2-amine?
4-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 250.30 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 66085806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).