4-chloro-6-[2-(diethylamino)ethylsulfanyl]-1,3,5-triazin-2-amine

C9H16ClN5S — CID 80891534

IUPAC4-chloro-6-[2-(diethylamino)ethylsulfanyl]-1,3,5-triazin-2-amine
SMILESCCN(CC)CCSc1nc(N)nc(Cl)n1
InChIInChI=1S/C9H16ClN5S/c1-3-15(4-2)5-6-16-9-13-7(10)12-8(11)14-9/h3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyXTJYSAFIBHKBMV-UHFFFAOYSA-N
MW261.78 g/mol
LogP1.54
Rot. Bonds6

About 4-chloro-6-[2-(diethylamino)ethylsulfanyl]-1,3,5-triazin-2-amine

4-chloro-6-[2-(diethylamino)ethylsulfanyl]-1,3,5-triazin-2-amine (PubChem CID 80891534) has the molecular formula C9H16ClN5S and a molecular weight of 261.78 g/mol. Its IUPAC name is 4-chloro-6-[2-(diethylamino)ethylsulfanyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[2-(diethylamino)ethylsulfanyl]-1,3,5-triazin-2-amine
PubChem CID80891534
Molecular FormulaC9H16ClN5S
Molecular Weight261.78 g/mol
Exact Mass261.08
IUPAC Name4-chloro-6-[2-(diethylamino)ethylsulfanyl]-1,3,5-triazin-2-amine
SMILESCCN(CC)CCSc1nc(N)nc(Cl)n1
InChIInChI=1S/C9H16ClN5S/c1-3-15(4-2)5-6-16-9-13-7(10)12-8(11)14-9/h3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyXTJYSAFIBHKBMV-UHFFFAOYSA-N
XLogP1.54
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.78
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[2-(diethylamino)ethylsulfanyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[2-(diethylamino)ethylsulfanyl]-1,3,5-triazin-2-amine (CID 80891534) is 4-chloro-6-[2-(diethylamino)ethylsulfanyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[2-(diethylamino)ethylsulfanyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[2-(diethylamino)ethylsulfanyl]-1,3,5-triazin-2-amine is CCN(CC)CCSc1nc(N)nc(Cl)n1.
What is the InChIKey of 4-chloro-6-[2-(diethylamino)ethylsulfanyl]-1,3,5-triazin-2-amine?
The InChIKey is XTJYSAFIBHKBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN5S/c1-3-15(4-2)5-6-16-9-13-7(10)12-8(11)14-9/h3-6H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 4-chloro-6-[2-(diethylamino)ethylsulfanyl]-1,3,5-triazin-2-amine?
4-chloro-6-[2-(diethylamino)ethylsulfanyl]-1,3,5-triazin-2-amine has a molecular weight of 261.78 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[2-(diethylamino)ethylsulfanyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 80891534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).