6-[(4-fluorophenyl)methylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C13H16FN5S — CID 17398525

IUPAC6-[(4-fluorophenyl)methylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CSCc2ccc(F)cc2)n1
InChIInChI=1S/C13H16FN5S/c1-19(2)13-17-11(16-12(15)18-13)8-20-7-9-3-5-10(14)6-4-9/h3-6H,7-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyRFCKLDDNRPHYNF-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.09
Rot. Bonds5

About 6-[(4-fluorophenyl)methylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-[(4-fluorophenyl)methylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 17398525) has the molecular formula C13H16FN5S and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID17398525
Molecular FormulaC13H16FN5S
Molecular Weight293.37 g/mol
Exact Mass293.11
IUPAC Name6-[(4-fluorophenyl)methylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CSCc2ccc(F)cc2)n1
InChIInChI=1S/C13H16FN5S/c1-19(2)13-17-11(16-12(15)18-13)8-20-7-9-3-5-10(14)6-4-9/h3-6H,7-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyRFCKLDDNRPHYNF-UHFFFAOYSA-N
XLogP2.09
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(4-fluorophenyl)methylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 17398525) is 6-[(4-fluorophenyl)methylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(4-fluorophenyl)methylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(4-fluorophenyl)methylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(CSCc2ccc(F)cc2)n1.
What is the InChIKey of 6-[(4-fluorophenyl)methylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is RFCKLDDNRPHYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5S/c1-19(2)13-17-11(16-12(15)18-13)8-20-7-9-3-5-10(14)6-4-9/h3-6H,7-8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 6-[(4-fluorophenyl)methylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[(4-fluorophenyl)methylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 293.37 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 17398525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).