4-[2-(aminomethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one

C12H13N3O2 — CID 114585899

IUPAC4-[2-(aminomethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(Oc2ccccc2CN)cc(=O)[nH]1
InChIInChI=1S/C12H13N3O2/c1-8-14-11(16)6-12(15-8)17-10-5-3-2-4-9(10)7-13/h2-6H,7,13H2,1H3,(H,14,15,16)
InChIKeyPSXXUYYPLHGRLC-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.33
Rot. Bonds3

About 4-[2-(aminomethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one

4-[2-(aminomethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one (PubChem CID 114585899) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-[2-(aminomethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(aminomethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one
PubChem CID114585899
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name4-[2-(aminomethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(Oc2ccccc2CN)cc(=O)[nH]1
InChIInChI=1S/C12H13N3O2/c1-8-14-11(16)6-12(15-8)17-10-5-3-2-4-9(10)7-13/h2-6H,7,13H2,1H3,(H,14,15,16)
InChIKeyPSXXUYYPLHGRLC-UHFFFAOYSA-N
XLogP1.33
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
CID 103241191
4-[2-(aminomethyl)-3-fluorophenoxy]-2-methyl-1H-pyrimidin-6-one
CID 114585940
4-(2-ethoxyphenoxy)-2-methyl-1H-pyrimidin-6-one
CID 103240999
4-(3-hydroxynaphthalen-2-yl)oxy-2-methyl-1H-pyrimidin-6-one
CID 114580959
4-(2-acetyl-4-aminophenoxy)-2-methyl-1H-pyrimidin-6-one
CID 114578883
4-(5-bromo-2-fluorophenoxy)-2-methyl-1H-pyrimidin-6-one
CID 114673213
6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80875016
4-[2-(aminomethyl)-4-bromophenoxy]-2-cyclopropyl-1H-pyrimidin-6-one
CID 114585999
3-chloro-4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid
CID 114585684
2-ethyl-4-(2-fluorophenoxy)-1H-pyrimidin-6-one
CID 103241071
2-ethyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
CID 103241192
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid
CID 114585605

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(aminomethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one (CID 114585899) is 4-[2-(aminomethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(aminomethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(aminomethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one is Cc1nc(Oc2ccccc2CN)cc(=O)[nH]1.
What is the InChIKey of 4-[2-(aminomethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is PSXXUYYPLHGRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-14-11(16)6-12(15-8)17-10-5-3-2-4-9(10)7-13/h2-6H,7,13H2,1H3,(H,14,15,16).
What are the key properties of 4-[2-(aminomethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one?
4-[2-(aminomethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 231.25 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114585899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).