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

C8H14FN5S — CID 136540320

IUPAC6-(2-fluorobutylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCC(F)CSCc1nc(N)nc(N)n1
InChIInChI=1S/C8H14FN5S/c1-2-5(9)3-15-4-6-12-7(10)14-8(11)13-6/h5H,2-4H2,1H3,(H4,10,11,12,13,14)
InChIKeyRSEAVOIJRFCTJF-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.02
Rot. Bonds5

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

6-(2-fluorobutylsulfanylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 136540320) has the molecular formula C8H14FN5S and a molecular weight of 231.30 g/mol. Its IUPAC name is 6-(2-fluorobutylsulfanylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-fluorobutylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID136540320
Molecular FormulaC8H14FN5S
Molecular Weight231.30 g/mol
Exact Mass231.10
IUPAC Name6-(2-fluorobutylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCC(F)CSCc1nc(N)nc(N)n1
InChIInChI=1S/C8H14FN5S/c1-2-5(9)3-15-4-6-12-7(10)14-8(11)13-6/h5H,2-4H2,1H3,(H4,10,11,12,13,14)
InChIKeyRSEAVOIJRFCTJF-UHFFFAOYSA-N
XLogP1.02
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorobutylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-fluorobutylsulfanylmethyl)-1,3,5-triazine-2,4-diamine (CID 136540320) is 6-(2-fluorobutylsulfanylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-fluorobutylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-fluorobutylsulfanylmethyl)-1,3,5-triazine-2,4-diamine is CCC(F)CSCc1nc(N)nc(N)n1.
What is the InChIKey of 6-(2-fluorobutylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is RSEAVOIJRFCTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN5S/c1-2-5(9)3-15-4-6-12-7(10)14-8(11)13-6/h5H,2-4H2,1H3,(H4,10,11,12,13,14).
What are the key properties of 6-(2-fluorobutylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
6-(2-fluorobutylsulfanylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 231.30 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorobutylsulfanylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 136540320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).