4-(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine

C8H14N4OS — CID 70618435

IUPAC4-(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCOCCCc1nc(N)nc(SC)n1
InChIInChI=1S/C8H14N4OS/c1-13-5-3-4-6-10-7(9)12-8(11-6)14-2/h3-5H2,1-2H3,(H2,9,10,11,12)
InChIKeyKTWYCKDIEZWKMA-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.75
Rot. Bonds5

About 4-(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine

4-(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 70618435) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID70618435
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name4-(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCOCCCc1nc(N)nc(SC)n1
InChIInChI=1S/C8H14N4OS/c1-13-5-3-4-6-10-7(9)12-8(11-6)14-2/h3-5H2,1-2H3,(H2,9,10,11,12)
InChIKeyKTWYCKDIEZWKMA-UHFFFAOYSA-N
XLogP0.75
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 70618435) is 4-(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine is COCCCc1nc(N)nc(SC)n1.
What is the InChIKey of 4-(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is KTWYCKDIEZWKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-13-5-3-4-6-10-7(9)12-8(11-6)14-2/h3-5H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 4-(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 214.29 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 70618435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).