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

C19H22N6O3 — CID 1158981

IUPAC4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(NCc3ccco3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H22N6O3/c1-26-15-6-4-14(5-7-15)21-18-22-17(20-13-16-3-2-10-28-16)23-19(24-18)25-8-11-27-12-9-25/h2-7,10H,8-9,11-13H2,1H3,(H2,20,21,22,23,24)
InChIKeyADBHXWFSFPPXEX-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.67
Rot. Bonds7

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

4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 1158981) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID1158981
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(NCc3ccco3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H22N6O3/c1-26-15-6-4-14(5-7-15)21-18-22-17(20-13-16-3-2-10-28-16)23-19(24-18)25-8-11-27-12-9-25/h2-7,10H,8-9,11-13H2,1H3,(H2,20,21,22,23,24)
InChIKeyADBHXWFSFPPXEX-UHFFFAOYSA-N
XLogP2.67
TPSA97.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-6-morpholin-4-yl-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-yl)amino)phenol
CID 556948
6-Chloro-N-furan-2-ylmethyl-N'-(4-methoxy-phenyl)-[1,3,5]triazine-2,4-diamine
CID 694087
N-Furan-2-ylmethyl-N'-(4-isopropyl-phenyl)-6-morpholin-4-yl-[1,3,5]triazine-2,4-diamine
CID 647595
6-Chloro-N-(2,4-dimethoxy-phenyl)-N'-furan-2-ylmethyl-[1,3,5]triazine-2,4-diamine
CID 1095341
N2,N4-Bis(4-ethoxyphenyl)-6-(morpholin-4-YL)-1,3,5-triazine-2,4-diamine
CID 2921014
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
6-N-(furan-2-ylmethyl)-4-N-(4-methoxyphenyl)-2-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 5722843
6-[(2E)-2-(2-fluorobenzylidene)hydrazinyl]-N-(furan-2-ylmethyl)-N'-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 9566664
6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine
CID 790413
N4-(2-furanylmethyl)-N2-(3-methylphenyl)-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine
CID 651460
6-Ethoxy-N-furan-2-ylmethyl-N'-(4-methoxy-phenyl)-[1,3,5]triazine-2,4-diamine
CID 650272

Frequently Asked Questions

What is the IUPAC name of 4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 1158981) is 4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is COc1ccc(Nc2nc(NCc3ccco3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is ADBHXWFSFPPXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-26-15-6-4-14(5-7-15)21-18-22-17(20-13-16-3-2-10-28-16)23-19(24-18)25-8-11-27-12-9-25/h2-7,10H,8-9,11-13H2,1H3,(H2,20,21,22,23,24).
What are the key properties of 4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 382.42 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 1158981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).