5-[2-(aminomethyl)phenoxy]-1H-pyrimidin-2-one

C11H11N3O2 — CID 115029947

IUPAC5-[2-(aminomethyl)phenoxy]-1H-pyrimidin-2-one
SMILESNCc1ccccc1Oc1cnc(=O)[nH]c1
InChIInChI=1S/C11H11N3O2/c12-5-8-3-1-2-4-10(8)16-9-6-13-11(15)14-7-9/h1-4,6-7H,5,12H2,(H,13,14,15)
InChIKeyZQJVOUCVOJMGFV-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.02
Rot. Bonds3

About 5-[2-(aminomethyl)phenoxy]-1H-pyrimidin-2-one

5-[2-(aminomethyl)phenoxy]-1H-pyrimidin-2-one (PubChem CID 115029947) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 5-[2-(aminomethyl)phenoxy]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-[2-(aminomethyl)phenoxy]-1H-pyrimidin-2-one
PubChem CID115029947
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name5-[2-(aminomethyl)phenoxy]-1H-pyrimidin-2-one
SMILESNCc1ccccc1Oc1cnc(=O)[nH]c1
InChIInChI=1S/C11H11N3O2/c12-5-8-3-1-2-4-10(8)16-9-6-13-11(15)14-7-9/h1-4,6-7H,5,12H2,(H,13,14,15)
InChIKeyZQJVOUCVOJMGFV-UHFFFAOYSA-N
XLogP1.02
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethoxy)-1H-pyrimidin-2-one
CID 117231127
5-(4-fluorophenoxy)-1H-pyrimidin-2-one
CID 12661833
[2-[(2-phenoxyphenyl)methoxy]phenyl]methanamine
CID 150298277
(2-naphthalen-2-yloxyphenyl)methanamine
CID 19627401
[2-(3,5-dichlorophenoxy)phenyl]methanamine
CID 43622066
[2-(3,4-dichlorophenoxy)phenyl]methanamine;hydrochloride
CID 19926666
4-[2-(aminomethyl)phenoxy]benzamide
CID 28824744
4-[(2-oxo-1H-pyrimidin-5-yl)oxy]benzoic acid
CID 115038673
1-[5-[2-(hydroxymethyl)phenoxy]-2-pyridinyl]ethanone
CID 83119591
2-[2-(aminomethyl)phenoxy]acetic acid
CID 15103326
[2-(3-bromophenoxy)phenyl]methanamine
CID 28966197
4-[2-(aminomethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one
CID 114585899

Frequently Asked Questions

What is the IUPAC name of 5-[2-(aminomethyl)phenoxy]-1H-pyrimidin-2-one?
The IUPAC name of 5-[2-(aminomethyl)phenoxy]-1H-pyrimidin-2-one (CID 115029947) is 5-[2-(aminomethyl)phenoxy]-1H-pyrimidin-2-one.
What is the SMILES notation for 5-[2-(aminomethyl)phenoxy]-1H-pyrimidin-2-one?
The canonical SMILES for 5-[2-(aminomethyl)phenoxy]-1H-pyrimidin-2-one is NCc1ccccc1Oc1cnc(=O)[nH]c1.
What is the InChIKey of 5-[2-(aminomethyl)phenoxy]-1H-pyrimidin-2-one?
The InChIKey is ZQJVOUCVOJMGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c12-5-8-3-1-2-4-10(8)16-9-6-13-11(15)14-7-9/h1-4,6-7H,5,12H2,(H,13,14,15).
What are the key properties of 5-[2-(aminomethyl)phenoxy]-1H-pyrimidin-2-one?
5-[2-(aminomethyl)phenoxy]-1H-pyrimidin-2-one has a molecular weight of 217.23 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(aminomethyl)phenoxy]-1H-pyrimidin-2-one is sourced from PubChem (CID 115029947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).