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

C13H15FN4S — CID 66065143

IUPAC4-[(4-fluorophenyl)sulfanylmethyl]-6-propyl-1,3,5-triazin-2-amine
SMILESCCCc1nc(N)nc(CSc2ccc(F)cc2)n1
InChIInChI=1S/C13H15FN4S/c1-2-3-11-16-12(18-13(15)17-11)8-19-10-6-4-9(14)5-7-10/h4-7H,2-3,8H2,1H3,(H2,15,16,17,18)
InChIKeyGUUBRZAJEARACC-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.84
Rot. Bonds5

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

4-[(4-fluorophenyl)sulfanylmethyl]-6-propyl-1,3,5-triazin-2-amine (PubChem CID 66065143) has the molecular formula C13H15FN4S and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfanylmethyl]-6-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfanylmethyl]-6-propyl-1,3,5-triazin-2-amine
PubChem CID66065143
Molecular FormulaC13H15FN4S
Molecular Weight278.36 g/mol
Exact Mass278.10
IUPAC Name4-[(4-fluorophenyl)sulfanylmethyl]-6-propyl-1,3,5-triazin-2-amine
SMILESCCCc1nc(N)nc(CSc2ccc(F)cc2)n1
InChIInChI=1S/C13H15FN4S/c1-2-3-11-16-12(18-13(15)17-11)8-19-10-6-4-9(14)5-7-10/h4-7H,2-3,8H2,1H3,(H2,15,16,17,18)
InChIKeyGUUBRZAJEARACC-UHFFFAOYSA-N
XLogP2.84
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfanylmethyl]-6-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(4-fluorophenyl)sulfanylmethyl]-6-propyl-1,3,5-triazin-2-amine (CID 66065143) is 4-[(4-fluorophenyl)sulfanylmethyl]-6-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfanylmethyl]-6-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(4-fluorophenyl)sulfanylmethyl]-6-propyl-1,3,5-triazin-2-amine is CCCc1nc(N)nc(CSc2ccc(F)cc2)n1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfanylmethyl]-6-propyl-1,3,5-triazin-2-amine?
The InChIKey is GUUBRZAJEARACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4S/c1-2-3-11-16-12(18-13(15)17-11)8-19-10-6-4-9(14)5-7-10/h4-7H,2-3,8H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-[(4-fluorophenyl)sulfanylmethyl]-6-propyl-1,3,5-triazin-2-amine?
4-[(4-fluorophenyl)sulfanylmethyl]-6-propyl-1,3,5-triazin-2-amine has a molecular weight of 278.36 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfanylmethyl]-6-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 66065143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).