4-(2-aminoethylsulfanyl)-6-chloro-N-deuterio-1,3,5-triazin-2-amine

C5H8ClN5S — CID 59039645

IUPAC4-(2-aminoethylsulfanyl)-6-chloro-N-deuterio-1,3,5-triazin-2-amine
SMILES[2H]Nc1nc(Cl)nc(SCCN)n1
InChIInChI=1S/C5H8ClN5S/c6-3-9-4(8)11-5(10-3)12-2-1-7/h1-2,7H2,(H2,8,9,10,11)/i/hD
InChIKeyHLQSEXZWCCKYJO-DYCDLGHISA-N
MW206.68 g/mol
LogP0.16
Rot. Bonds4

About 4-(2-aminoethylsulfanyl)-6-chloro-N-deuterio-1,3,5-triazin-2-amine

4-(2-aminoethylsulfanyl)-6-chloro-N-deuterio-1,3,5-triazin-2-amine (PubChem CID 59039645) has the molecular formula C5H8ClN5S and a molecular weight of 206.68 g/mol. Its IUPAC name is 4-(2-aminoethylsulfanyl)-6-chloro-N-deuterio-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-aminoethylsulfanyl)-6-chloro-N-deuterio-1,3,5-triazin-2-amine
PubChem CID59039645
Molecular FormulaC5H8ClN5S
Molecular Weight206.68 g/mol
Exact Mass206.03
IUPAC Name4-(2-aminoethylsulfanyl)-6-chloro-N-deuterio-1,3,5-triazin-2-amine
SMILES[2H]Nc1nc(Cl)nc(SCCN)n1
InChIInChI=1S/C5H8ClN5S/c6-3-9-4(8)11-5(10-3)12-2-1-7/h1-2,7H2,(H2,8,9,10,11)/i/hD
InChIKeyHLQSEXZWCCKYJO-DYCDLGHISA-N
XLogP0.16
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethylsulfanyl)-6-chloro-N-deuterio-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-aminoethylsulfanyl)-6-chloro-N-deuterio-1,3,5-triazin-2-amine (CID 59039645) is 4-(2-aminoethylsulfanyl)-6-chloro-N-deuterio-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-aminoethylsulfanyl)-6-chloro-N-deuterio-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-aminoethylsulfanyl)-6-chloro-N-deuterio-1,3,5-triazin-2-amine is [2H]Nc1nc(Cl)nc(SCCN)n1.
What is the InChIKey of 4-(2-aminoethylsulfanyl)-6-chloro-N-deuterio-1,3,5-triazin-2-amine?
The InChIKey is HLQSEXZWCCKYJO-DYCDLGHISA-N. The full InChI is InChI=1S/C5H8ClN5S/c6-3-9-4(8)11-5(10-3)12-2-1-7/h1-2,7H2,(H2,8,9,10,11)/i/hD.
What are the key properties of 4-(2-aminoethylsulfanyl)-6-chloro-N-deuterio-1,3,5-triazin-2-amine?
4-(2-aminoethylsulfanyl)-6-chloro-N-deuterio-1,3,5-triazin-2-amine has a molecular weight of 206.68 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethylsulfanyl)-6-chloro-N-deuterio-1,3,5-triazin-2-amine is sourced from PubChem (CID 59039645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).