4-chloro-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine

C7H11ClN4OS — CID 80889976

IUPAC4-chloro-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine
SMILESCOCCCSc1nc(N)nc(Cl)n1
InChIInChI=1S/C7H11ClN4OS/c1-13-3-2-4-14-7-11-5(8)10-6(9)12-7/h2-4H2,1H3,(H2,9,10,11,12)
InChIKeyFHCUKTNKXLYZHV-UHFFFAOYSA-N
MW234.71 g/mol
LogP1.24
Rot. Bonds5

About 4-chloro-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine

4-chloro-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine (PubChem CID 80889976) has the molecular formula C7H11ClN4OS and a molecular weight of 234.71 g/mol. Its IUPAC name is 4-chloro-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine
PubChem CID80889976
Molecular FormulaC7H11ClN4OS
Molecular Weight234.71 g/mol
Exact Mass234.03
IUPAC Name4-chloro-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine
SMILESCOCCCSc1nc(N)nc(Cl)n1
InChIInChI=1S/C7H11ClN4OS/c1-13-3-2-4-14-7-11-5(8)10-6(9)12-7/h2-4H2,1H3,(H2,9,10,11,12)
InChIKeyFHCUKTNKXLYZHV-UHFFFAOYSA-N
XLogP1.24
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 51.24
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-chloro-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine (CID 80889976) is 4-chloro-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine is COCCCSc1nc(N)nc(Cl)n1.
What is the InChIKey of 4-chloro-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine?
The InChIKey is FHCUKTNKXLYZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4OS/c1-13-3-2-4-14-7-11-5(8)10-6(9)12-7/h2-4H2,1H3,(H2,9,10,11,12).
What are the key properties of 4-chloro-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine?
4-chloro-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine has a molecular weight of 234.71 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80889976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).