6-[(2-fluorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine

C10H10FN5S — CID 8601143

IUPAC6-[(2-fluorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CSc2ccccc2F)n1
InChIInChI=1S/C10H10FN5S/c11-6-3-1-2-4-7(6)17-5-8-14-9(12)16-10(13)15-8/h1-4H,5H2,(H4,12,13,14,15,16)
InChIKeyPVTNPXQULDAAFC-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.47
Rot. Bonds3

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

6-[(2-fluorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 8601143) has the molecular formula C10H10FN5S and a molecular weight of 251.29 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(2-fluorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
PubChem CID8601143
Molecular FormulaC10H10FN5S
Molecular Weight251.29 g/mol
Exact Mass251.06
IUPAC Name6-[(2-fluorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CSc2ccccc2F)n1
InChIInChI=1S/C10H10FN5S/c11-6-3-1-2-4-7(6)17-5-8-14-9(12)16-10(13)15-8/h1-4H,5H2,(H4,12,13,14,15,16)
InChIKeyPVTNPXQULDAAFC-UHFFFAOYSA-N
XLogP1.47
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(2-fluorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine (CID 8601143) is 6-[(2-fluorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(2-fluorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(2-fluorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(CSc2ccccc2F)n1.
What is the InChIKey of 6-[(2-fluorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is PVTNPXQULDAAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5S/c11-6-3-1-2-4-7(6)17-5-8-14-9(12)16-10(13)15-8/h1-4H,5H2,(H4,12,13,14,15,16).
What are the key properties of 6-[(2-fluorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
6-[(2-fluorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 251.29 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 8601143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).