6-(5-fluoropentylsulfanylmethyl)-1,3,5-triazine-2,4-diamine

C9H16FN5S — CID 167843935

IUPAC6-(5-fluoropentylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CSCCCCCF)n1
InChIInChI=1S/C9H16FN5S/c10-4-2-1-3-5-16-6-7-13-8(11)15-9(12)14-7/h1-6H2,(H4,11,12,13,14,15)
InChIKeyPMLNRKLSFXVIDX-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.41
Rot. Bonds7

About 6-(5-fluoropentylsulfanylmethyl)-1,3,5-triazine-2,4-diamine

6-(5-fluoropentylsulfanylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 167843935) has the molecular formula C9H16FN5S and a molecular weight of 245.33 g/mol. Its IUPAC name is 6-(5-fluoropentylsulfanylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(5-fluoropentylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID167843935
Molecular FormulaC9H16FN5S
Molecular Weight245.33 g/mol
Exact Mass245.11
IUPAC Name6-(5-fluoropentylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CSCCCCCF)n1
InChIInChI=1S/C9H16FN5S/c10-4-2-1-3-5-16-6-7-13-8(11)15-9(12)14-7/h1-6H2,(H4,11,12,13,14,15)
InChIKeyPMLNRKLSFXVIDX-UHFFFAOYSA-N
XLogP1.41
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoropentylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(5-fluoropentylsulfanylmethyl)-1,3,5-triazine-2,4-diamine (CID 167843935) is 6-(5-fluoropentylsulfanylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(5-fluoropentylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(5-fluoropentylsulfanylmethyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(CSCCCCCF)n1.
What is the InChIKey of 6-(5-fluoropentylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is PMLNRKLSFXVIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN5S/c10-4-2-1-3-5-16-6-7-13-8(11)15-9(12)14-7/h1-6H2,(H4,11,12,13,14,15).
What are the key properties of 6-(5-fluoropentylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
6-(5-fluoropentylsulfanylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 245.33 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoropentylsulfanylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 167843935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).