2-(4,6-diamino-1,3,5-triazin-2-yl)-5-methoxyphenol

C10H11N5O2 — CID 135871477

IUPAC2-(4,6-diamino-1,3,5-triazin-2-yl)-5-methoxyphenol
SMILESCOc1ccc(-c2nc(N)nc(N)n2)c(O)c1
InChIInChI=1S/C10H11N5O2/c1-17-5-2-3-6(7(16)4-5)8-13-9(11)15-10(12)14-8/h2-4,16H,1H3,(H4,11,12,13,14,15)
InChIKeyGZZCIIGPVLBUOP-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.42
Rot. Bonds2

About 2-(4,6-diamino-1,3,5-triazin-2-yl)-5-methoxyphenol

2-(4,6-diamino-1,3,5-triazin-2-yl)-5-methoxyphenol (PubChem CID 135871477) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-(4,6-diamino-1,3,5-triazin-2-yl)-5-methoxyphenol.

Molecular Properties

Compound Name2-(4,6-diamino-1,3,5-triazin-2-yl)-5-methoxyphenol
PubChem CID135871477
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name2-(4,6-diamino-1,3,5-triazin-2-yl)-5-methoxyphenol
SMILESCOc1ccc(-c2nc(N)nc(N)n2)c(O)c1
InChIInChI=1S/C10H11N5O2/c1-17-5-2-3-6(7(16)4-5)8-13-9(11)15-10(12)14-8/h2-4,16H,1H3,(H4,11,12,13,14,15)
InChIKeyGZZCIIGPVLBUOP-UHFFFAOYSA-N
XLogP0.42
TPSA120.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diamino-1,3,5-triazin-2-yl)-5-methoxyphenol?
The IUPAC name of 2-(4,6-diamino-1,3,5-triazin-2-yl)-5-methoxyphenol (CID 135871477) is 2-(4,6-diamino-1,3,5-triazin-2-yl)-5-methoxyphenol.
What is the SMILES notation for 2-(4,6-diamino-1,3,5-triazin-2-yl)-5-methoxyphenol?
The canonical SMILES for 2-(4,6-diamino-1,3,5-triazin-2-yl)-5-methoxyphenol is COc1ccc(-c2nc(N)nc(N)n2)c(O)c1.
What is the InChIKey of 2-(4,6-diamino-1,3,5-triazin-2-yl)-5-methoxyphenol?
The InChIKey is GZZCIIGPVLBUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-17-5-2-3-6(7(16)4-5)8-13-9(11)15-10(12)14-8/h2-4,16H,1H3,(H4,11,12,13,14,15).
What are the key properties of 2-(4,6-diamino-1,3,5-triazin-2-yl)-5-methoxyphenol?
2-(4,6-diamino-1,3,5-triazin-2-yl)-5-methoxyphenol has a molecular weight of 233.23 g/mol, XLogP of 0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diamino-1,3,5-triazin-2-yl)-5-methoxyphenol is sourced from PubChem (CID 135871477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).