[4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]phenyl]methanol

C11H12N4O3 — CID 80870447

IUPAC[4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]phenyl]methanol
SMILESCOc1nc(N)nc(Oc2ccc(CO)cc2)n1
InChIInChI=1S/C11H12N4O3/c1-17-10-13-9(12)14-11(15-10)18-8-4-2-7(6-16)3-5-8/h2-5,16H,6H2,1H3,(H2,12,13,14,15)
InChIKeyFMHJUNCTBZDGQX-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.75
Rot. Bonds4

About [4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]phenyl]methanol

[4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]phenyl]methanol (PubChem CID 80870447) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is [4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]phenyl]methanol
PubChem CID80870447
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name[4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]phenyl]methanol
SMILESCOc1nc(N)nc(Oc2ccc(CO)cc2)n1
InChIInChI=1S/C11H12N4O3/c1-17-10-13-9(12)14-11(15-10)18-8-4-2-7(6-16)3-5-8/h2-5,16H,6H2,1H3,(H2,12,13,14,15)
InChIKeyFMHJUNCTBZDGQX-UHFFFAOYSA-N
XLogP0.75
TPSA103.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]phenyl]methanol?
The IUPAC name of [4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]phenyl]methanol (CID 80870447) is [4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]phenyl]methanol.
What is the SMILES notation for [4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]phenyl]methanol?
The canonical SMILES for [4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]phenyl]methanol is COc1nc(N)nc(Oc2ccc(CO)cc2)n1.
What is the InChIKey of [4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]phenyl]methanol?
The InChIKey is FMHJUNCTBZDGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-17-10-13-9(12)14-11(15-10)18-8-4-2-7(6-16)3-5-8/h2-5,16H,6H2,1H3,(H2,12,13,14,15).
What are the key properties of [4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]phenyl]methanol?
[4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]phenyl]methanol has a molecular weight of 248.24 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]phenyl]methanol is sourced from PubChem (CID 80870447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).