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

C10H16N4S — CID 65134187

IUPAC4-cyclopropyl-6-(propylsulfanylmethyl)-1,3,5-triazin-2-amine
SMILESCCCSCc1nc(N)nc(C2CC2)n1
InChIInChI=1S/C10H16N4S/c1-2-5-15-6-8-12-9(7-3-4-7)14-10(11)13-8/h7H,2-6H2,1H3,(H2,11,12,13,14)
InChIKeyUKSMWFCCZKYQGG-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.97
Rot. Bonds5

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

4-cyclopropyl-6-(propylsulfanylmethyl)-1,3,5-triazin-2-amine (PubChem CID 65134187) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 4-cyclopropyl-6-(propylsulfanylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-6-(propylsulfanylmethyl)-1,3,5-triazin-2-amine
PubChem CID65134187
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name4-cyclopropyl-6-(propylsulfanylmethyl)-1,3,5-triazin-2-amine
SMILESCCCSCc1nc(N)nc(C2CC2)n1
InChIInChI=1S/C10H16N4S/c1-2-5-15-6-8-12-9(7-3-4-7)14-10(11)13-8/h7H,2-6H2,1H3,(H2,11,12,13,14)
InChIKeyUKSMWFCCZKYQGG-UHFFFAOYSA-N
XLogP1.97
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-(propylsulfanylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclopropyl-6-(propylsulfanylmethyl)-1,3,5-triazin-2-amine (CID 65134187) is 4-cyclopropyl-6-(propylsulfanylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclopropyl-6-(propylsulfanylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclopropyl-6-(propylsulfanylmethyl)-1,3,5-triazin-2-amine is CCCSCc1nc(N)nc(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-6-(propylsulfanylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is UKSMWFCCZKYQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-2-5-15-6-8-12-9(7-3-4-7)14-10(11)13-8/h7H,2-6H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-cyclopropyl-6-(propylsulfanylmethyl)-1,3,5-triazin-2-amine?
4-cyclopropyl-6-(propylsulfanylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 224.33 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-(propylsulfanylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 65134187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).