2-amino-1-(4-pyrimidin-2-yloxyphenyl)ethanone

C12H11N3O2 — CID 170860743

IUPAC2-amino-1-(4-pyrimidin-2-yloxyphenyl)ethanone
SMILESNCC(=O)c1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C12H11N3O2/c13-8-11(16)9-2-4-10(5-3-9)17-12-14-6-1-7-15-12/h1-7H,8,13H2
InChIKeyGMRMZFJOTPXYNG-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.41
Rot. Bonds4

About 2-amino-1-(4-pyrimidin-2-yloxyphenyl)ethanone

2-amino-1-(4-pyrimidin-2-yloxyphenyl)ethanone (PubChem CID 170860743) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-amino-1-(4-pyrimidin-2-yloxyphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-pyrimidin-2-yloxyphenyl)ethanone
PubChem CID170860743
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name2-amino-1-(4-pyrimidin-2-yloxyphenyl)ethanone
SMILESNCC(=O)c1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C12H11N3O2/c13-8-11(16)9-2-4-10(5-3-9)17-12-14-6-1-7-15-12/h1-7H,8,13H2
InChIKeyGMRMZFJOTPXYNG-UHFFFAOYSA-N
XLogP1.41
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-aminoacetyl)phenoxy]acetic acid
CID 14536945
2-amino-1-(4-phenylmethoxyphenyl)ethanone
CID 14579463
4-[4-[(4-pyrimidin-2-yloxyphenyl)carbamoyl]phenoxy]benzamide
CID 56548979
N-pyridin-2-yl-4-pyrimidin-2-yloxybenzamide
CID 56724080
2-amino-1-(4-butoxyphenyl)ethanone;hydrochloride
CID 173461436
2-amino-1-(4-propoxyphenyl)ethanone;hydrochloride
CID 50988222
2-(4-pyrimidin-2-yloxyphenoxy)propanamide
CID 133330250
N-[(4-fluorophenyl)methyl]-4-pyrimidin-2-yloxybenzamide
CID 70703225
2-amino-1-[3,4-bis(4-methylphenoxy)phenyl]ethanone
CID 70624105
(4-methylpiperidin-1-yl)-(4-pyrimidin-2-yloxyphenyl)methanone
CID 70702933
benzyl 2-[4-(2-aminoacetyl)phenoxy]acetate
CID 67246007
3-(4-pyrimidin-2-yloxyphenyl)propan-1-ol
CID 54511340

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-pyrimidin-2-yloxyphenyl)ethanone?
The IUPAC name of 2-amino-1-(4-pyrimidin-2-yloxyphenyl)ethanone (CID 170860743) is 2-amino-1-(4-pyrimidin-2-yloxyphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(4-pyrimidin-2-yloxyphenyl)ethanone?
The canonical SMILES for 2-amino-1-(4-pyrimidin-2-yloxyphenyl)ethanone is NCC(=O)c1ccc(Oc2ncccn2)cc1.
What is the InChIKey of 2-amino-1-(4-pyrimidin-2-yloxyphenyl)ethanone?
The InChIKey is GMRMZFJOTPXYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c13-8-11(16)9-2-4-10(5-3-9)17-12-14-6-1-7-15-12/h1-7H,8,13H2.
What are the key properties of 2-amino-1-(4-pyrimidin-2-yloxyphenyl)ethanone?
2-amino-1-(4-pyrimidin-2-yloxyphenyl)ethanone has a molecular weight of 229.24 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-pyrimidin-2-yloxyphenyl)ethanone is sourced from PubChem (CID 170860743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).