6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(2-methyl-3H-indol-6-yl)-1,3,5-triazine-2,4-diamine

C19H20N6O2 — CID 58040142

IUPAC6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(2-methyl-3H-indol-6-yl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NCc2ccco2)nc(Nc2ccc3c(c2)N=C(C)C3)n1
InChIInChI=1S/C19H20N6O2/c1-3-26-19-24-17(20-11-15-5-4-8-27-15)23-18(25-19)22-14-7-6-13-9-12(2)21-16(13)10-14/h4-8,10H,3,9,11H2,1-2H3,(H2,20,22,23,24,25)
InChIKeyGTFUNANOMDZGTD-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.87
Rot. Bonds7

About 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(2-methyl-3H-indol-6-yl)-1,3,5-triazine-2,4-diamine

6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(2-methyl-3H-indol-6-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 58040142) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(2-methyl-3H-indol-6-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(2-methyl-3H-indol-6-yl)-1,3,5-triazine-2,4-diamine
PubChem CID58040142
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(2-methyl-3H-indol-6-yl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NCc2ccco2)nc(Nc2ccc3c(c2)N=C(C)C3)n1
InChIInChI=1S/C19H20N6O2/c1-3-26-19-24-17(20-11-15-5-4-8-27-15)23-18(25-19)22-14-7-6-13-9-12(2)21-16(13)10-14/h4-8,10H,3,9,11H2,1-2H3,(H2,20,22,23,24,25)
InChIKeyGTFUNANOMDZGTD-UHFFFAOYSA-N
XLogP3.87
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(2-methyl-3H-indol-6-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(2-pyridin-3-yl-3H-indol-6-yl)-1,3,5-triazine-2,4-diamine
CID 58039805
2-N-(4-bromophenyl)-6-ethoxy-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 58039345
4-ethoxy-N-(furan-2-ylmethyl)-6-methyl-1,3,5-triazin-2-amine
CID 143835245
6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(4-pyridin-3-ylphenyl)-1,3,5-triazine-2,4-diamine
CID 58040274
6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine
CID 58040162
6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-1,3,5-triazine-2,4-diamine
CID 67015784
6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 58039571
4-[[4-ethoxy-6-[(5-methylfuran-2-yl)methylamino]-1,3,5-triazin-2-yl]amino]phenol
CID 58040323
2-N,4-N-bis(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 134140226
4-chloro-6-ethoxy-N-[2-(furan-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 62857408
6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 694087
6-ethoxy-4-N-ethyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80762181

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(2-methyl-3H-indol-6-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(2-methyl-3H-indol-6-yl)-1,3,5-triazine-2,4-diamine (CID 58040142) is 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(2-methyl-3H-indol-6-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(2-methyl-3H-indol-6-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(2-methyl-3H-indol-6-yl)-1,3,5-triazine-2,4-diamine is CCOc1nc(NCc2ccco2)nc(Nc2ccc3c(c2)N=C(C)C3)n1.
What is the InChIKey of 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(2-methyl-3H-indol-6-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is GTFUNANOMDZGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-3-26-19-24-17(20-11-15-5-4-8-27-15)23-18(25-19)22-14-7-6-13-9-12(2)21-16(13)10-14/h4-8,10H,3,9,11H2,1-2H3,(H2,20,22,23,24,25).
What are the key properties of 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(2-methyl-3H-indol-6-yl)-1,3,5-triazine-2,4-diamine?
6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(2-methyl-3H-indol-6-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 364.41 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(2-methyl-3H-indol-6-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58040142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).