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

C8H12N4S — CID 63868613

IUPAC4-cyclopropyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine
SMILESCSCc1nc(N)nc(C2CC2)n1
InChIInChI=1S/C8H12N4S/c1-13-4-6-10-7(5-2-3-5)12-8(9)11-6/h5H,2-4H2,1H3,(H2,9,10,11,12)
InChIKeyBYAHLJYQLVXLBS-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.19
Rot. Bonds3

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

4-cyclopropyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine (PubChem CID 63868613) has the molecular formula C8H12N4S and a molecular weight of 196.28 g/mol. Its IUPAC name is 4-cyclopropyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine
PubChem CID63868613
Molecular FormulaC8H12N4S
Molecular Weight196.28 g/mol
Exact Mass196.08
IUPAC Name4-cyclopropyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine
SMILESCSCc1nc(N)nc(C2CC2)n1
InChIInChI=1S/C8H12N4S/c1-13-4-6-10-7(5-2-3-5)12-8(9)11-6/h5H,2-4H2,1H3,(H2,9,10,11,12)
InChIKeyBYAHLJYQLVXLBS-UHFFFAOYSA-N
XLogP1.19
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclopropyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine (CID 63868613) is 4-cyclopropyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclopropyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclopropyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine is CSCc1nc(N)nc(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is BYAHLJYQLVXLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4S/c1-13-4-6-10-7(5-2-3-5)12-8(9)11-6/h5H,2-4H2,1H3,(H2,9,10,11,12).
What are the key properties of 4-cyclopropyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine?
4-cyclopropyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 196.28 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63868613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).