2-(3-ethoxyphenoxy)pyrimidine-4-carboximidamide

C13H14N4O2 — CID 107551111

IUPAC2-(3-ethoxyphenoxy)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2cccc(OCC)c2)n1
InChIInChI=1S/C13H14N4O2/c1-2-18-9-4-3-5-10(8-9)19-13-16-7-6-11(17-13)12(14)15/h3-8H,2H2,1H3,(H3,14,15)
InChIKeyOPHYOSOLYLRJAI-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.95
Rot. Bonds5

About 2-(3-ethoxyphenoxy)pyrimidine-4-carboximidamide

2-(3-ethoxyphenoxy)pyrimidine-4-carboximidamide (PubChem CID 107551111) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-(3-ethoxyphenoxy)pyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(3-ethoxyphenoxy)pyrimidine-4-carboximidamide
PubChem CID107551111
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name2-(3-ethoxyphenoxy)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2cccc(OCC)c2)n1
InChIInChI=1S/C13H14N4O2/c1-2-18-9-4-3-5-10(8-9)19-13-16-7-6-11(17-13)12(14)15/h3-8H,2H2,1H3,(H3,14,15)
InChIKeyOPHYOSOLYLRJAI-UHFFFAOYSA-N
XLogP1.95
TPSA94.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-ethoxyphenoxy)pyrimidine-4-carbothioamide
CID 107548622
2-(4-chloro-3-ethylphenoxy)pyrimidine-4-carboximidamide
CID 107551013
3-(3-ethoxyphenoxy)pyrazine-2-carboximidamide
CID 62684399
2-(6-bromonaphthalen-2-yl)oxypyrimidine-4-carboximidamide
CID 107550845
2-butan-2-yloxypyrimidine-4-carboximidamide
CID 107551031
2-(2-tert-butylphenoxy)pyrimidine-4-carboximidamide
CID 107550918
4-(2-ethoxyphenoxy)pyridine-2-carboximidamide
CID 62926158
4-chloro-2-(3-ethoxyphenoxy)benzenecarboximidamide
CID 63094214
3-[(3-ethoxyphenoxy)methyl]benzenecarboximidamide
CID 62336532
2-(3-methyl-2-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551063
2-bromo-4-(3-ethoxyphenoxy)-3-fluorobenzenecarboximidamide
CID 107536771
2-(4-methoxy-2-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551054

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenoxy)pyrimidine-4-carboximidamide?
The IUPAC name of 2-(3-ethoxyphenoxy)pyrimidine-4-carboximidamide (CID 107551111) is 2-(3-ethoxyphenoxy)pyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(3-ethoxyphenoxy)pyrimidine-4-carboximidamide?
The canonical SMILES for 2-(3-ethoxyphenoxy)pyrimidine-4-carboximidamide is [H]/N=C(\N)c1ccnc(Oc2cccc(OCC)c2)n1.
What is the InChIKey of 2-(3-ethoxyphenoxy)pyrimidine-4-carboximidamide?
The InChIKey is OPHYOSOLYLRJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-2-18-9-4-3-5-10(8-9)19-13-16-7-6-11(17-13)12(14)15/h3-8H,2H2,1H3,(H3,14,15).
What are the key properties of 2-(3-ethoxyphenoxy)pyrimidine-4-carboximidamide?
2-(3-ethoxyphenoxy)pyrimidine-4-carboximidamide has a molecular weight of 258.28 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenoxy)pyrimidine-4-carboximidamide is sourced from PubChem (CID 107551111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).