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

C23H21N7O2 — CID 58039805

IUPAC6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(2-pyridin-3-yl-3H-indol-6-yl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NCc2ccco2)nc(Nc2ccc3c(c2)N=C(c2cccnc2)C3)n1
InChIInChI=1S/C23H21N7O2/c1-2-31-23-29-21(25-14-18-6-4-10-32-18)28-22(30-23)26-17-8-7-15-11-19(27-20(15)12-17)16-5-3-9-24-13-16/h3-10,12-13H,2,11,14H2,1H3,(H2,25,26,28,29,30)
InChIKeyBTBIJRPONJELOV-UHFFFAOYSA-N
MW427.47 g/mol
LogP4.29
Rot. Bonds8

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

6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(2-pyridin-3-yl-3H-indol-6-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 58039805) has the molecular formula C23H21N7O2 and a molecular weight of 427.47 g/mol. Its IUPAC name is 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(2-pyridin-3-yl-3H-indol-6-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(2-pyridin-3-yl-3H-indol-6-yl)-1,3,5-triazine-2,4-diamine
PubChem CID58039805
Molecular FormulaC23H21N7O2
Molecular Weight427.47 g/mol
Exact Mass427.18
IUPAC Name6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(2-pyridin-3-yl-3H-indol-6-yl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NCc2ccco2)nc(Nc2ccc3c(c2)N=C(c2cccnc2)C3)n1
InChIInChI=1S/C23H21N7O2/c1-2-31-23-29-21(25-14-18-6-4-10-32-18)28-22(30-23)26-17-8-7-15-11-19(27-20(15)12-17)16-5-3-9-24-13-16/h3-10,12-13H,2,11,14H2,1H3,(H2,25,26,28,29,30)
InChIKeyBTBIJRPONJELOV-UHFFFAOYSA-N
XLogP4.29
TPSA110.35 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Launch Full Analysis

Related Compounds

6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(2-methyl-3H-indol-6-yl)-1,3,5-triazine-2,4-diamine
CID 58040142
6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(4-pyridin-3-ylphenyl)-1,3,5-triazine-2,4-diamine
CID 58040274
2-N-(4-bromophenyl)-6-ethoxy-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 58039345
6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine
CID 58040162
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-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 58039571
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
2-N,4-N-bis(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 134140226
5-N-(4-ethoxyphenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112947452
6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 694087
4-[[4-ethoxy-6-[(5-methylfuran-2-yl)methylamino]-1,3,5-triazin-2-yl]amino]phenol
CID 58040323
6-[(5-methyl-2-pyridinyl)methoxy]-2-pyridin-3-yl-3H-indole
CID 153469840

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(2-pyridin-3-yl-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-pyridin-3-yl-3H-indol-6-yl)-1,3,5-triazine-2,4-diamine (CID 58039805) is 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(2-pyridin-3-yl-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-pyridin-3-yl-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-pyridin-3-yl-3H-indol-6-yl)-1,3,5-triazine-2,4-diamine is CCOc1nc(NCc2ccco2)nc(Nc2ccc3c(c2)N=C(c2cccnc2)C3)n1.
What is the InChIKey of 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(2-pyridin-3-yl-3H-indol-6-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is BTBIJRPONJELOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O2/c1-2-31-23-29-21(25-14-18-6-4-10-32-18)28-22(30-23)26-17-8-7-15-11-19(27-20(15)12-17)16-5-3-9-24-13-16/h3-10,12-13H,2,11,14H2,1H3,(H2,25,26,28,29,30).
What are the key properties of 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(2-pyridin-3-yl-3H-indol-6-yl)-1,3,5-triazine-2,4-diamine?
6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(2-pyridin-3-yl-3H-indol-6-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 427.47 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(2-pyridin-3-yl-3H-indol-6-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58039805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).