2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenol

C17H17N5O2 — CID 139995584

IUPAC2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenol
SMILESNc1nc(N)nc(CCOc2ccccc2-c2ccccc2O)n1
InChIInChI=1S/C17H17N5O2/c18-16-20-15(21-17(19)22-16)9-10-24-14-8-4-2-6-12(14)11-5-1-3-7-13(11)23/h1-8,23H,9-10H2,(H4,18,19,20,21,22)
InChIKeyACWFVTHBZGSUSG-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.03
Rot. Bonds5

About 2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenol

2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenol (PubChem CID 139995584) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenol.

Molecular Properties

Compound Name2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenol
PubChem CID139995584
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenol
SMILESNc1nc(N)nc(CCOc2ccccc2-c2ccccc2O)n1
InChIInChI=1S/C17H17N5O2/c18-16-20-15(21-17(19)22-16)9-10-24-14-8-4-2-6-12(14)11-5-1-3-7-13(11)23/h1-8,23H,9-10H2,(H4,18,19,20,21,22)
InChIKeyACWFVTHBZGSUSG-UHFFFAOYSA-N
XLogP2.03
TPSA120.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenol?
The IUPAC name of 2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenol (CID 139995584) is 2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenol.
What is the SMILES notation for 2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenol?
The canonical SMILES for 2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenol is Nc1nc(N)nc(CCOc2ccccc2-c2ccccc2O)n1.
What is the InChIKey of 2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenol?
The InChIKey is ACWFVTHBZGSUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c18-16-20-15(21-17(19)22-16)9-10-24-14-8-4-2-6-12(14)11-5-1-3-7-13(11)23/h1-8,23H,9-10H2,(H4,18,19,20,21,22).
What are the key properties of 2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenol?
2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenol has a molecular weight of 323.36 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenol is sourced from PubChem (CID 139995584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).