2-(3-ethoxyphenoxy)pyrimidin-5-amine

C12H13N3O2 — CID 55060800

IUPAC2-(3-ethoxyphenoxy)pyrimidin-5-amine
SMILESCCOc1cccc(Oc2ncc(N)cn2)c1
InChIInChI=1S/C12H13N3O2/c1-2-16-10-4-3-5-11(6-10)17-12-14-7-9(13)8-15-12/h3-8H,2,13H2,1H3
InChIKeyGJWAIBOYZAEYIV-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.25
Rot. Bonds4

About 2-(3-ethoxyphenoxy)pyrimidin-5-amine

2-(3-ethoxyphenoxy)pyrimidin-5-amine (PubChem CID 55060800) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(3-ethoxyphenoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(3-ethoxyphenoxy)pyrimidin-5-amine
PubChem CID55060800
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-(3-ethoxyphenoxy)pyrimidin-5-amine
SMILESCCOc1cccc(Oc2ncc(N)cn2)c1
InChIInChI=1S/C12H13N3O2/c1-2-16-10-4-3-5-11(6-10)17-12-14-7-9(13)8-15-12/h3-8H,2,13H2,1H3
InChIKeyGJWAIBOYZAEYIV-UHFFFAOYSA-N
XLogP2.25
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-(3-ethoxyphenoxy)pyridine-3-carbonitrile
CID 62338626
3-(3-ethoxyphenoxy)-5-methoxyaniline
CID 80748304
3-(3-ethoxyphenoxy)pyrazin-2-amine
CID 102988136
6-(3-ethoxyphenoxy)pyrazin-2-amine
CID 80647483
5-bromo-6-(3-ethoxyphenoxy)-4-methylpyridin-3-amine
CID 104507343
[4-(3-ethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80930359
3-(3-ethoxyphenoxy)quinoxalin-2-amine
CID 102988134
[5-(3-ethoxyphenoxy)-3-pyridinyl]methanamine
CID 113469599
2-(3-ethoxyphenoxy)pyrimidine-4-carbothioamide
CID 107548622
2-(3-ethoxyphenoxy)-4-methylaniline
CID 26189621
3-ethoxy-5-pyridin-3-yloxyaniline
CID 80748740
2-(3,4-difluorophenoxy)pyrimidin-5-amine
CID 82234847

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenoxy)pyrimidin-5-amine?
The IUPAC name of 2-(3-ethoxyphenoxy)pyrimidin-5-amine (CID 55060800) is 2-(3-ethoxyphenoxy)pyrimidin-5-amine.
What is the SMILES notation for 2-(3-ethoxyphenoxy)pyrimidin-5-amine?
The canonical SMILES for 2-(3-ethoxyphenoxy)pyrimidin-5-amine is CCOc1cccc(Oc2ncc(N)cn2)c1.
What is the InChIKey of 2-(3-ethoxyphenoxy)pyrimidin-5-amine?
The InChIKey is GJWAIBOYZAEYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-16-10-4-3-5-11(6-10)17-12-14-7-9(13)8-15-12/h3-8H,2,13H2,1H3.
What are the key properties of 2-(3-ethoxyphenoxy)pyrimidin-5-amine?
2-(3-ethoxyphenoxy)pyrimidin-5-amine has a molecular weight of 231.25 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenoxy)pyrimidin-5-amine is sourced from PubChem (CID 55060800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).