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

C20H22N6 — CID 17391634

IUPAC6-(2,3-dihydroindol-1-ylmethyl)-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCc1ccccc1Nc1nc(N)nc(CN2CCc3ccccc32)n1
InChIInChI=1S/C20H22N6/c1-2-14-7-3-5-9-16(14)22-20-24-18(23-19(21)25-20)13-26-12-11-15-8-4-6-10-17(15)26/h3-10H,2,11-13H2,1H3,(H3,21,22,23,24,25)
InChIKeyPXMNIMVZCSKBON-UHFFFAOYSA-N
MW346.44 g/mol
LogP3.32
Rot. Bonds5

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

6-(2,3-dihydroindol-1-ylmethyl)-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 17391634) has the molecular formula C20H22N6 and a molecular weight of 346.44 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-ylmethyl)-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-ylmethyl)-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID17391634
Molecular FormulaC20H22N6
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC Name6-(2,3-dihydroindol-1-ylmethyl)-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCc1ccccc1Nc1nc(N)nc(CN2CCc3ccccc32)n1
InChIInChI=1S/C20H22N6/c1-2-14-7-3-5-9-16(14)22-20-24-18(23-19(21)25-20)13-26-12-11-15-8-4-6-10-17(15)26/h3-10H,2,11-13H2,1H3,(H3,21,22,23,24,25)
InChIKeyPXMNIMVZCSKBON-UHFFFAOYSA-N
XLogP3.32
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-ylmethyl)-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2,3-dihydroindol-1-ylmethyl)-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine (CID 17391634) is 6-(2,3-dihydroindol-1-ylmethyl)-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2,3-dihydroindol-1-ylmethyl)-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2,3-dihydroindol-1-ylmethyl)-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine is CCc1ccccc1Nc1nc(N)nc(CN2CCc3ccccc32)n1.
What is the InChIKey of 6-(2,3-dihydroindol-1-ylmethyl)-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is PXMNIMVZCSKBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6/c1-2-14-7-3-5-9-16(14)22-20-24-18(23-19(21)25-20)13-26-12-11-15-8-4-6-10-17(15)26/h3-10H,2,11-13H2,1H3,(H3,21,22,23,24,25).
What are the key properties of 6-(2,3-dihydroindol-1-ylmethyl)-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine?
6-(2,3-dihydroindol-1-ylmethyl)-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 346.44 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-ylmethyl)-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 17391634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).