3-[(4-aminopyrimidin-2-yl)methoxy]phenol

C11H11N3O2 — CID 105470749

IUPAC3-[(4-aminopyrimidin-2-yl)methoxy]phenol
SMILESNc1ccnc(COc2cccc(O)c2)n1
InChIInChI=1S/C11H11N3O2/c12-10-4-5-13-11(14-10)7-16-9-3-1-2-8(15)6-9/h1-6,15H,7H2,(H2,12,13,14)
InChIKeyJIOURDUDAQIKIR-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.34
Rot. Bonds3

About 3-[(4-aminopyrimidin-2-yl)methoxy]phenol

3-[(4-aminopyrimidin-2-yl)methoxy]phenol (PubChem CID 105470749) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-[(4-aminopyrimidin-2-yl)methoxy]phenol.

Molecular Properties

Compound Name3-[(4-aminopyrimidin-2-yl)methoxy]phenol
PubChem CID105470749
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name3-[(4-aminopyrimidin-2-yl)methoxy]phenol
SMILESNc1ccnc(COc2cccc(O)c2)n1
InChIInChI=1S/C11H11N3O2/c12-10-4-5-13-11(14-10)7-16-9-3-1-2-8(15)6-9/h1-6,15H,7H2,(H2,12,13,14)
InChIKeyJIOURDUDAQIKIR-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

3-[(6-amino-2-pyridinyl)methoxy]phenol
CID 105469629
3-[(2-amino-3-pyridinyl)methoxy]phenol
CID 105469612
3-[(5-aminopyrazin-2-yl)methoxy]phenol
CID 117213249
2-(methoxymethyl)pyrimidin-4-amine
CID 161338001
3-[(4-propan-2-ylpyrimidin-2-yl)methoxy]aniline
CID 82478145
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenol
CID 61497436
3-[(2-amino-1,3-oxazol-5-yl)methoxy]phenol
CID 117192267
2-[(3-ethoxyphenoxy)methyl]-6-methylpyrimidin-4-amine
CID 80655014
4-[2-(4-aminopyrimidin-2-yl)ethylamino]phenol
CID 105488049
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenol
CID 43143517
4-(chloromethyl)-2-(phenoxymethyl)pyrimidine
CID 62746871
2-[(3-chlorophenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride
CID 3051323

Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminopyrimidin-2-yl)methoxy]phenol?
The IUPAC name of 3-[(4-aminopyrimidin-2-yl)methoxy]phenol (CID 105470749) is 3-[(4-aminopyrimidin-2-yl)methoxy]phenol.
What is the SMILES notation for 3-[(4-aminopyrimidin-2-yl)methoxy]phenol?
The canonical SMILES for 3-[(4-aminopyrimidin-2-yl)methoxy]phenol is Nc1ccnc(COc2cccc(O)c2)n1.
What is the InChIKey of 3-[(4-aminopyrimidin-2-yl)methoxy]phenol?
The InChIKey is JIOURDUDAQIKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c12-10-4-5-13-11(14-10)7-16-9-3-1-2-8(15)6-9/h1-6,15H,7H2,(H2,12,13,14).
What are the key properties of 3-[(4-aminopyrimidin-2-yl)methoxy]phenol?
3-[(4-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 3-[(4-aminopyrimidin-2-yl)methoxy]phenol is sourced from PubChem (CID 105470749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).