4-cyclopropyl-6-(4-methylsulfanylphenyl)-1,3,5-triazin-2-amine

C13H14N4S — CID 106850121

IUPAC4-cyclopropyl-6-(4-methylsulfanylphenyl)-1,3,5-triazin-2-amine
SMILESCSc1ccc(-c2nc(N)nc(C3CC3)n2)cc1
InChIInChI=1S/C13H14N4S/c1-18-10-6-4-9(5-7-10)12-15-11(8-2-3-8)16-13(14)17-12/h4-8H,2-3H2,1H3,(H2,14,15,16,17)
InChIKeyOGHGZJXSRLNIQC-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.72
Rot. Bonds3

About 4-cyclopropyl-6-(4-methylsulfanylphenyl)-1,3,5-triazin-2-amine

4-cyclopropyl-6-(4-methylsulfanylphenyl)-1,3,5-triazin-2-amine (PubChem CID 106850121) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 4-cyclopropyl-6-(4-methylsulfanylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-6-(4-methylsulfanylphenyl)-1,3,5-triazin-2-amine
PubChem CID106850121
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name4-cyclopropyl-6-(4-methylsulfanylphenyl)-1,3,5-triazin-2-amine
SMILESCSc1ccc(-c2nc(N)nc(C3CC3)n2)cc1
InChIInChI=1S/C13H14N4S/c1-18-10-6-4-9(5-7-10)12-15-11(8-2-3-8)16-13(14)17-12/h4-8H,2-3H2,1H3,(H2,14,15,16,17)
InChIKeyOGHGZJXSRLNIQC-UHFFFAOYSA-N
XLogP2.72
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-(4-methylsulfanylphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclopropyl-6-(4-methylsulfanylphenyl)-1,3,5-triazin-2-amine (CID 106850121) is 4-cyclopropyl-6-(4-methylsulfanylphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclopropyl-6-(4-methylsulfanylphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclopropyl-6-(4-methylsulfanylphenyl)-1,3,5-triazin-2-amine is CSc1ccc(-c2nc(N)nc(C3CC3)n2)cc1.
What is the InChIKey of 4-cyclopropyl-6-(4-methylsulfanylphenyl)-1,3,5-triazin-2-amine?
The InChIKey is OGHGZJXSRLNIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-18-10-6-4-9(5-7-10)12-15-11(8-2-3-8)16-13(14)17-12/h4-8H,2-3H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-cyclopropyl-6-(4-methylsulfanylphenyl)-1,3,5-triazin-2-amine?
4-cyclopropyl-6-(4-methylsulfanylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 258.35 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-(4-methylsulfanylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 106850121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).