4-[(5-aminopyrimidin-2-yl)methoxy]phenol

C11H11N3O2 — CID 105470751

IUPAC4-[(5-aminopyrimidin-2-yl)methoxy]phenol
SMILESNc1cnc(COc2ccc(O)cc2)nc1
InChIInChI=1S/C11H11N3O2/c12-8-5-13-11(14-6-8)7-16-10-3-1-9(15)2-4-10/h1-6,15H,7,12H2
InChIKeyQDTWCWCGURZSTL-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.34
Rot. Bonds3

About 4-[(5-aminopyrimidin-2-yl)methoxy]phenol

4-[(5-aminopyrimidin-2-yl)methoxy]phenol (PubChem CID 105470751) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-[(5-aminopyrimidin-2-yl)methoxy]phenol.

Molecular Properties

Compound Name4-[(5-aminopyrimidin-2-yl)methoxy]phenol
PubChem CID105470751
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name4-[(5-aminopyrimidin-2-yl)methoxy]phenol
SMILESNc1cnc(COc2ccc(O)cc2)nc1
InChIInChI=1S/C11H11N3O2/c12-8-5-13-11(14-6-8)7-16-10-3-1-9(15)2-4-10/h1-6,15H,7,12H2
InChIKeyQDTWCWCGURZSTL-UHFFFAOYSA-N
XLogP1.34
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-5-amine
CID 82168504
4-[(4-aminophenoxy)methyl]phenol;ethane
CID 176977170
4-[(5-bromo-1H-imidazol-2-yl)methoxy]phenol
CID 117187368
4-[(2-amino-3-pyridinyl)methoxy]phenol
CID 105469611
[2-[(4-methylphenoxy)methyl]pyrimidin-5-yl]methanamine
CID 169243482
4-[(1,5-dimethylimidazol-2-yl)methoxy]phenol
CID 117188417
2-[(4-aminophenoxy)methyl]-1H-imidazol-5-ol
CID 82470079
4-(aminooxymethoxy)phenol
CID 121274828
4-[5-(4-hydroxyphenoxy)pentoxy]phenol
CID 20548963
4-[(2-bromophenyl)methoxy]phenol
CID 43143380
4-(quinolin-3-ylmethoxy)aniline
CID 19733697
4-[(4-hydroxyphenoxy)methyl]-1,2-oxazole-5-carboxylic acid
CID 117216273

Frequently Asked Questions

What is the IUPAC name of 4-[(5-aminopyrimidin-2-yl)methoxy]phenol?
The IUPAC name of 4-[(5-aminopyrimidin-2-yl)methoxy]phenol (CID 105470751) is 4-[(5-aminopyrimidin-2-yl)methoxy]phenol.
What is the SMILES notation for 4-[(5-aminopyrimidin-2-yl)methoxy]phenol?
The canonical SMILES for 4-[(5-aminopyrimidin-2-yl)methoxy]phenol is Nc1cnc(COc2ccc(O)cc2)nc1.
What is the InChIKey of 4-[(5-aminopyrimidin-2-yl)methoxy]phenol?
The InChIKey is QDTWCWCGURZSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c12-8-5-13-11(14-6-8)7-16-10-3-1-9(15)2-4-10/h1-6,15H,7,12H2.
What are the key properties of 4-[(5-aminopyrimidin-2-yl)methoxy]phenol?
4-[(5-aminopyrimidin-2-yl)methoxy]phenol has a molecular weight of 217.23 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-aminopyrimidin-2-yl)methoxy]phenol is sourced from PubChem (CID 105470751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).