2-N-(2-aminoethyl)-6-ethylsulfanyl-1,3,5-triazine-2,4-diamine

C7H14N6S — CID 118921133

IUPAC2-N-(2-aminoethyl)-6-ethylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCCSc1nc(N)nc(NCCN)n1
InChIInChI=1S/C7H14N6S/c1-2-14-7-12-5(9)11-6(13-7)10-4-3-8/h2-4,8H2,1H3,(H3,9,10,11,12,13)
InChIKeyGXTFEJCPTZQCQT-UHFFFAOYSA-N
MW214.30 g/mol
LogP-0.06
Rot. Bonds5

About 2-N-(2-aminoethyl)-6-ethylsulfanyl-1,3,5-triazine-2,4-diamine

2-N-(2-aminoethyl)-6-ethylsulfanyl-1,3,5-triazine-2,4-diamine (PubChem CID 118921133) has the molecular formula C7H14N6S and a molecular weight of 214.30 g/mol. Its IUPAC name is 2-N-(2-aminoethyl)-6-ethylsulfanyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-aminoethyl)-6-ethylsulfanyl-1,3,5-triazine-2,4-diamine
PubChem CID118921133
Molecular FormulaC7H14N6S
Molecular Weight214.30 g/mol
Exact Mass214.10
IUPAC Name2-N-(2-aminoethyl)-6-ethylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCCSc1nc(N)nc(NCCN)n1
InChIInChI=1S/C7H14N6S/c1-2-14-7-12-5(9)11-6(13-7)10-4-3-8/h2-4,8H2,1H3,(H3,9,10,11,12,13)
InChIKeyGXTFEJCPTZQCQT-UHFFFAOYSA-N
XLogP-0.06
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-aminoethyl)-6-ethylsulfanyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-aminoethyl)-6-ethylsulfanyl-1,3,5-triazine-2,4-diamine (CID 118921133) is 2-N-(2-aminoethyl)-6-ethylsulfanyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-aminoethyl)-6-ethylsulfanyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-aminoethyl)-6-ethylsulfanyl-1,3,5-triazine-2,4-diamine is CCSc1nc(N)nc(NCCN)n1.
What is the InChIKey of 2-N-(2-aminoethyl)-6-ethylsulfanyl-1,3,5-triazine-2,4-diamine?
The InChIKey is GXTFEJCPTZQCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6S/c1-2-14-7-12-5(9)11-6(13-7)10-4-3-8/h2-4,8H2,1H3,(H3,9,10,11,12,13).
What are the key properties of 2-N-(2-aminoethyl)-6-ethylsulfanyl-1,3,5-triazine-2,4-diamine?
2-N-(2-aminoethyl)-6-ethylsulfanyl-1,3,5-triazine-2,4-diamine has a molecular weight of 214.30 g/mol, XLogP of -0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-aminoethyl)-6-ethylsulfanyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 118921133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).