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

C13H15FN4S — CID 66065144

IUPAC4-[(4-fluorophenyl)sulfanylmethyl]-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N)nc(CSc2ccc(F)cc2)n1
InChIInChI=1S/C13H15FN4S/c1-8(2)12-16-11(17-13(15)18-12)7-19-10-5-3-9(14)4-6-10/h3-6,8H,7H2,1-2H3,(H2,15,16,17,18)
InChIKeyCHWBEHRTBNXNRX-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.01
Rot. Bonds4

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

4-[(4-fluorophenyl)sulfanylmethyl]-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 66065144) has the molecular formula C13H15FN4S and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfanylmethyl]-6-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfanylmethyl]-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID66065144
Molecular FormulaC13H15FN4S
Molecular Weight278.36 g/mol
Exact Mass278.10
IUPAC Name4-[(4-fluorophenyl)sulfanylmethyl]-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N)nc(CSc2ccc(F)cc2)n1
InChIInChI=1S/C13H15FN4S/c1-8(2)12-16-11(17-13(15)18-12)7-19-10-5-3-9(14)4-6-10/h3-6,8H,7H2,1-2H3,(H2,15,16,17,18)
InChIKeyCHWBEHRTBNXNRX-UHFFFAOYSA-N
XLogP3.01
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.01
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-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(4-fluorophenyl)sulfanylmethyl]-6-propan-2-yl-1,3,5-triazin-2-amine (CID 66065144) is 4-[(4-fluorophenyl)sulfanylmethyl]-6-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfanylmethyl]-6-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(4-fluorophenyl)sulfanylmethyl]-6-propan-2-yl-1,3,5-triazin-2-amine is CC(C)c1nc(N)nc(CSc2ccc(F)cc2)n1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfanylmethyl]-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is CHWBEHRTBNXNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4S/c1-8(2)12-16-11(17-13(15)18-12)7-19-10-5-3-9(14)4-6-10/h3-6,8H,7H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-[(4-fluorophenyl)sulfanylmethyl]-6-propan-2-yl-1,3,5-triazin-2-amine?
4-[(4-fluorophenyl)sulfanylmethyl]-6-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 278.36 g/mol, XLogP of 3.01, 4 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-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 66065144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).