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

C10H16N4S — CID 65133500

IUPAC4-cyclopropyl-6-(propan-2-ylsulfanylmethyl)-1,3,5-triazin-2-amine
SMILESCC(C)SCc1nc(N)nc(C2CC2)n1
InChIInChI=1S/C10H16N4S/c1-6(2)15-5-8-12-9(7-3-4-7)14-10(11)13-8/h6-7H,3-5H2,1-2H3,(H2,11,12,13,14)
InChIKeyADIYDHVUDMXSJG-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.97
Rot. Bonds4

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

4-cyclopropyl-6-(propan-2-ylsulfanylmethyl)-1,3,5-triazin-2-amine (PubChem CID 65133500) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 4-cyclopropyl-6-(propan-2-ylsulfanylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-6-(propan-2-ylsulfanylmethyl)-1,3,5-triazin-2-amine
PubChem CID65133500
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name4-cyclopropyl-6-(propan-2-ylsulfanylmethyl)-1,3,5-triazin-2-amine
SMILESCC(C)SCc1nc(N)nc(C2CC2)n1
InChIInChI=1S/C10H16N4S/c1-6(2)15-5-8-12-9(7-3-4-7)14-10(11)13-8/h6-7H,3-5H2,1-2H3,(H2,11,12,13,14)
InChIKeyADIYDHVUDMXSJG-UHFFFAOYSA-N
XLogP1.97
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-(propan-2-ylsulfanylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclopropyl-6-(propan-2-ylsulfanylmethyl)-1,3,5-triazin-2-amine (CID 65133500) is 4-cyclopropyl-6-(propan-2-ylsulfanylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclopropyl-6-(propan-2-ylsulfanylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclopropyl-6-(propan-2-ylsulfanylmethyl)-1,3,5-triazin-2-amine is CC(C)SCc1nc(N)nc(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-6-(propan-2-ylsulfanylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is ADIYDHVUDMXSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-6(2)15-5-8-12-9(7-3-4-7)14-10(11)13-8/h6-7H,3-5H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 4-cyclopropyl-6-(propan-2-ylsulfanylmethyl)-1,3,5-triazin-2-amine?
4-cyclopropyl-6-(propan-2-ylsulfanylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 224.33 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-(propan-2-ylsulfanylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 65133500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).