4-[[4-ethoxy-6-[(5-methylfuran-2-yl)methylamino]-1,3,5-triazin-2-yl]amino]phenol

C17H19N5O3 — CID 58040323

IUPAC4-[[4-ethoxy-6-[(5-methylfuran-2-yl)methylamino]-1,3,5-triazin-2-yl]amino]phenol
SMILESCCOc1nc(NCc2ccc(C)o2)nc(Nc2ccc(O)cc2)n1
InChIInChI=1S/C17H19N5O3/c1-3-24-17-21-15(18-10-14-9-4-11(2)25-14)20-16(22-17)19-12-5-7-13(23)8-6-12/h4-9,23H,3,10H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyWSJZMSKGSQQSOQ-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.23
Rot. Bonds7

About 4-[[4-ethoxy-6-[(5-methylfuran-2-yl)methylamino]-1,3,5-triazin-2-yl]amino]phenol

4-[[4-ethoxy-6-[(5-methylfuran-2-yl)methylamino]-1,3,5-triazin-2-yl]amino]phenol (PubChem CID 58040323) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-[[4-ethoxy-6-[(5-methylfuran-2-yl)methylamino]-1,3,5-triazin-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[4-ethoxy-6-[(5-methylfuran-2-yl)methylamino]-1,3,5-triazin-2-yl]amino]phenol
PubChem CID58040323
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name4-[[4-ethoxy-6-[(5-methylfuran-2-yl)methylamino]-1,3,5-triazin-2-yl]amino]phenol
SMILESCCOc1nc(NCc2ccc(C)o2)nc(Nc2ccc(O)cc2)n1
InChIInChI=1S/C17H19N5O3/c1-3-24-17-21-15(18-10-14-9-4-11(2)25-14)20-16(22-17)19-12-5-7-13(23)8-6-12/h4-9,23H,3,10H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyWSJZMSKGSQQSOQ-UHFFFAOYSA-N
XLogP3.23
TPSA105.33 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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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-ethyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80762181
4-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 80918972
2-N-(3-ethylphenyl)-4-N-[(5-methylfuran-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 58039352
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-(2-methyl-3H-indol-6-yl)-1,3,5-triazine-2,4-diamine
CID 58040142
4-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 80738039
2-N-[4-(1,3-benzoxazol-2-yl)phenyl]-6-ethoxy-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 3386884
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4,6-diethoxy-1,3,5-triazin-2-amine
CID 15992243
4-chloro-6-ethoxy-N-(4-methylphenyl)-1,3,5-triazin-2-amine
CID 62859043
4-ethoxy-N-(furan-2-ylmethyl)-6-methyl-1,3,5-triazin-2-amine
CID 143835245
6-ethoxy-4-N-[(4-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 58040288

Frequently Asked Questions

What is the IUPAC name of 4-[[4-ethoxy-6-[(5-methylfuran-2-yl)methylamino]-1,3,5-triazin-2-yl]amino]phenol?
The IUPAC name of 4-[[4-ethoxy-6-[(5-methylfuran-2-yl)methylamino]-1,3,5-triazin-2-yl]amino]phenol (CID 58040323) is 4-[[4-ethoxy-6-[(5-methylfuran-2-yl)methylamino]-1,3,5-triazin-2-yl]amino]phenol.
What is the SMILES notation for 4-[[4-ethoxy-6-[(5-methylfuran-2-yl)methylamino]-1,3,5-triazin-2-yl]amino]phenol?
The canonical SMILES for 4-[[4-ethoxy-6-[(5-methylfuran-2-yl)methylamino]-1,3,5-triazin-2-yl]amino]phenol is CCOc1nc(NCc2ccc(C)o2)nc(Nc2ccc(O)cc2)n1.
What is the InChIKey of 4-[[4-ethoxy-6-[(5-methylfuran-2-yl)methylamino]-1,3,5-triazin-2-yl]amino]phenol?
The InChIKey is WSJZMSKGSQQSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-3-24-17-21-15(18-10-14-9-4-11(2)25-14)20-16(22-17)19-12-5-7-13(23)8-6-12/h4-9,23H,3,10H2,1-2H3,(H2,18,19,20,21,22).
What are the key properties of 4-[[4-ethoxy-6-[(5-methylfuran-2-yl)methylamino]-1,3,5-triazin-2-yl]amino]phenol?
4-[[4-ethoxy-6-[(5-methylfuran-2-yl)methylamino]-1,3,5-triazin-2-yl]amino]phenol has a molecular weight of 341.37 g/mol, XLogP of 3.23, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-ethoxy-6-[(5-methylfuran-2-yl)methylamino]-1,3,5-triazin-2-yl]amino]phenol is sourced from PubChem (CID 58040323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).