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

C21H20N6O2 — CID 58040274

IUPAC6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(4-pyridin-3-ylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NCc2ccco2)nc(Nc2ccc(-c3cccnc3)cc2)n1
InChIInChI=1S/C21H20N6O2/c1-2-28-21-26-19(23-14-18-6-4-12-29-18)25-20(27-21)24-17-9-7-15(8-10-17)16-5-3-11-22-13-16/h3-13H,2,14H2,1H3,(H2,23,24,25,26,27)
InChIKeyTYLLPRQGODAKJS-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.28
Rot. Bonds8

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

6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(4-pyridin-3-ylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 58040274) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(4-pyridin-3-ylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(4-pyridin-3-ylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID58040274
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(4-pyridin-3-ylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NCc2ccco2)nc(Nc2ccc(-c3cccnc3)cc2)n1
InChIInChI=1S/C21H20N6O2/c1-2-28-21-26-19(23-14-18-6-4-12-29-18)25-20(27-21)24-17-9-7-15(8-10-17)16-5-3-11-22-13-16/h3-13H,2,14H2,1H3,(H2,23,24,25,26,27)
InChIKeyTYLLPRQGODAKJS-UHFFFAOYSA-N
XLogP4.28
TPSA97.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

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-(2-pyridin-3-yl-3H-indol-6-yl)-1,3,5-triazine-2,4-diamine
CID 58039805
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-(2-methyl-3H-indol-6-yl)-1,3,5-triazine-2,4-diamine
CID 58040142
2-N,4-N-bis(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 134140226
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-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-ethoxy-4-N-ethyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80762181
6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 58039571
5-N-(4-ethoxyphenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112947452

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(4-pyridin-3-ylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(4-pyridin-3-ylphenyl)-1,3,5-triazine-2,4-diamine (CID 58040274) is 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(4-pyridin-3-ylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(4-pyridin-3-ylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(4-pyridin-3-ylphenyl)-1,3,5-triazine-2,4-diamine is CCOc1nc(NCc2ccco2)nc(Nc2ccc(-c3cccnc3)cc2)n1.
What is the InChIKey of 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(4-pyridin-3-ylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is TYLLPRQGODAKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-2-28-21-26-19(23-14-18-6-4-12-29-18)25-20(27-21)24-17-9-7-15(8-10-17)16-5-3-11-22-13-16/h3-13H,2,14H2,1H3,(H2,23,24,25,26,27).
What are the key properties of 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(4-pyridin-3-ylphenyl)-1,3,5-triazine-2,4-diamine?
6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(4-pyridin-3-ylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 388.43 g/mol, XLogP of 4.28, 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-pyridin-3-ylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58040274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).