4-(3-methylcyclohexyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine

C13H22N4OS — CID 80889650

IUPAC4-(3-methylcyclohexyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(SC2CCCC(C)C2)n1
InChIInChI=1S/C13H22N4OS/c1-3-7-18-12-15-11(14)16-13(17-12)19-10-6-4-5-9(2)8-10/h9-10H,3-8H2,1-2H3,(H2,14,15,16,17)
InChIKeyLQAZYBSNVQJACU-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.91
Rot. Bonds5

About 4-(3-methylcyclohexyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine

4-(3-methylcyclohexyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 80889650) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-(3-methylcyclohexyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-methylcyclohexyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
PubChem CID80889650
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name4-(3-methylcyclohexyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(SC2CCCC(C)C2)n1
InChIInChI=1S/C13H22N4OS/c1-3-7-18-12-15-11(14)16-13(17-12)19-10-6-4-5-9(2)8-10/h9-10H,3-8H2,1-2H3,(H2,14,15,16,17)
InChIKeyLQAZYBSNVQJACU-UHFFFAOYSA-N
XLogP2.91
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylcyclohexyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-methylcyclohexyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine (CID 80889650) is 4-(3-methylcyclohexyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-methylcyclohexyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-methylcyclohexyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(N)nc(SC2CCCC(C)C2)n1.
What is the InChIKey of 4-(3-methylcyclohexyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is LQAZYBSNVQJACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-3-7-18-12-15-11(14)16-13(17-12)19-10-6-4-5-9(2)8-10/h9-10H,3-8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-(3-methylcyclohexyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine?
4-(3-methylcyclohexyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 282.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylcyclohexyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80889650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).