6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine

C17H19N5O3 — CID 650272

IUPAC6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NCc2ccco2)nc(Nc2ccc(OC)cc2)n1
InChIInChI=1S/C17H19N5O3/c1-3-24-17-21-15(18-11-14-5-4-10-25-14)20-16(22-17)19-12-6-8-13(23-2)9-7-12/h4-10H,3,11H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyBGNRNHURFTWOAG-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.23
Rot. Bonds8

About 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine

6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 650272) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID650272
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NCc2ccco2)nc(Nc2ccc(OC)cc2)n1
InChIInChI=1S/C17H19N5O3/c1-3-24-17-21-15(18-11-14-5-4-10-25-14)20-16(22-17)19-12-6-8-13(23-2)9-7-12/h4-10H,3,11H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyBGNRNHURFTWOAG-UHFFFAOYSA-N
XLogP3.23
TPSA94.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-{4-Chloro-6-[(furan-2-ylmethyl)-amino]-[1,3,5]-triazin-2-ylamino}-phenol
CID 556948
6-Chloro-N-furan-2-ylmethyl-N'-(4-methoxy-phenyl)-[1,3,5]triazine-2,4-diamine
CID 694087
1-(4-Ethoxyphenyl)-3-(furan-2-ylmethyl)thiourea
CID 759714
N-Furan-2-ylmethyl-N'-(4-isopropyl-phenyl)-6-morpholin-4-yl-[1,3,5]triazine-2,4-diamine
CID 647595
N-Allyl-6-ethoxy-N'-furan-2-ylmethyl-[1,3,5]triazine-2,4-diamine
CID 649892
N,N'-Bis-furan-2-ylmethyl-6-phenoxy-[1,3,5]triazine-2,4-diamine
CID 654770
N~3~-(2-furylmethyl)-1-phenyl-1H-1,2,4-triazole-3,5-diamine
CID 884997
6-Chloro-N-(2,4-dimethoxy-phenyl)-N'-furan-2-ylmethyl-[1,3,5]triazine-2,4-diamine
CID 1095341
N2-(furan-2-ylmethyl)-N4-(4-methoxyphenyl)-6-morpholino-1,3,5-triazine-2,4-diamine
CID 1158981
6-Ethoxy-N-furan-2-ylmethyl-N'-hexyl-[1,3,5]triazine-2,4-diamine
CID 3128957
6-Ethoxy-N-(2-fluoro-phenyl)-N'-furan-2-ylmethyl-[1,3,5]triazine-2,4-diamine
CID 3146878
6-[(2E)-2-benzylidenehydrazinyl]-N-(furan-2-ylmethyl)-N'-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 5334418

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 650272) is 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine is CCOc1nc(NCc2ccco2)nc(Nc2ccc(OC)cc2)n1.
What is the InChIKey of 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is BGNRNHURFTWOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-3-24-17-21-15(18-11-14-5-4-10-25-14)20-16(22-17)19-12-6-8-13(23-2)9-7-12/h4-10H,3,11H2,1-2H3,(H2,18,19,20,21,22).
What are the key properties of 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 341.37 g/mol, XLogP of 3.23, 8 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-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 650272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).