6-(cyclopentylsulfanylmethyl)-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine

C17H23N5S — CID 8763671

IUPAC6-(cyclopentylsulfanylmethyl)-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCc1ccccc1Nc1nc(N)nc(CSC2CCCC2)n1
InChIInChI=1S/C17H23N5S/c1-2-12-7-3-6-10-14(12)19-17-21-15(20-16(18)22-17)11-23-13-8-4-5-9-13/h3,6-7,10,13H,2,4-5,8-9,11H2,1H3,(H3,18,19,20,21,22)
InChIKeyLYNDWQPLUKKUHG-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.94
Rot. Bonds6

About 6-(cyclopentylsulfanylmethyl)-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine

6-(cyclopentylsulfanylmethyl)-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 8763671) has the molecular formula C17H23N5S and a molecular weight of 329.47 g/mol. Its IUPAC name is 6-(cyclopentylsulfanylmethyl)-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(cyclopentylsulfanylmethyl)-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID8763671
Molecular FormulaC17H23N5S
Molecular Weight329.47 g/mol
Exact Mass329.17
IUPAC Name6-(cyclopentylsulfanylmethyl)-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCc1ccccc1Nc1nc(N)nc(CSC2CCCC2)n1
InChIInChI=1S/C17H23N5S/c1-2-12-7-3-6-10-14(12)19-17-21-15(20-16(18)22-17)11-23-13-8-4-5-9-13/h3,6-7,10,13H,2,4-5,8-9,11H2,1H3,(H3,18,19,20,21,22)
InChIKeyLYNDWQPLUKKUHG-UHFFFAOYSA-N
XLogP3.94
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylsulfanylmethyl)-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(cyclopentylsulfanylmethyl)-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine (CID 8763671) is 6-(cyclopentylsulfanylmethyl)-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(cyclopentylsulfanylmethyl)-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(cyclopentylsulfanylmethyl)-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine is CCc1ccccc1Nc1nc(N)nc(CSC2CCCC2)n1.
What is the InChIKey of 6-(cyclopentylsulfanylmethyl)-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is LYNDWQPLUKKUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5S/c1-2-12-7-3-6-10-14(12)19-17-21-15(20-16(18)22-17)11-23-13-8-4-5-9-13/h3,6-7,10,13H,2,4-5,8-9,11H2,1H3,(H3,18,19,20,21,22).
What are the key properties of 6-(cyclopentylsulfanylmethyl)-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine?
6-(cyclopentylsulfanylmethyl)-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 329.47 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylsulfanylmethyl)-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 8763671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).