3-[4-(4-amino-2-fluorophenoxy)-2-pyridinyl]-1,1-dimethylurea

C14H15FN4O2 — CID 23153283

IUPAC3-[4-(4-amino-2-fluorophenoxy)-2-pyridinyl]-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1cc(Oc2ccc(N)cc2F)ccn1
InChIInChI=1S/C14H15FN4O2/c1-19(2)14(20)18-13-8-10(5-6-17-13)21-12-4-3-9(16)7-11(12)15/h3-8H,16H2,1-2H3,(H,17,18,20)
InChIKeyVCIBHJOWEQAWAY-UHFFFAOYSA-N
MW290.30 g/mol
LogP2.69
Rot. Bonds3

About 3-[4-(4-amino-2-fluorophenoxy)-2-pyridinyl]-1,1-dimethylurea

3-[4-(4-amino-2-fluorophenoxy)-2-pyridinyl]-1,1-dimethylurea (PubChem CID 23153283) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 3-[4-(4-amino-2-fluorophenoxy)-2-pyridinyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[4-(4-amino-2-fluorophenoxy)-2-pyridinyl]-1,1-dimethylurea
PubChem CID23153283
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name3-[4-(4-amino-2-fluorophenoxy)-2-pyridinyl]-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1cc(Oc2ccc(N)cc2F)ccn1
InChIInChI=1S/C14H15FN4O2/c1-19(2)14(20)18-13-8-10(5-6-17-13)21-12-4-3-9(16)7-11(12)15/h3-8H,16H2,1-2H3,(H,17,18,20)
InChIKeyVCIBHJOWEQAWAY-UHFFFAOYSA-N
XLogP2.69
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-amino-2-fluorophenoxy)-2-pyridinyl]-1,1-dimethylurea?
The IUPAC name of 3-[4-(4-amino-2-fluorophenoxy)-2-pyridinyl]-1,1-dimethylurea (CID 23153283) is 3-[4-(4-amino-2-fluorophenoxy)-2-pyridinyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[4-(4-amino-2-fluorophenoxy)-2-pyridinyl]-1,1-dimethylurea?
The canonical SMILES for 3-[4-(4-amino-2-fluorophenoxy)-2-pyridinyl]-1,1-dimethylurea is CN(C)C(=O)Nc1cc(Oc2ccc(N)cc2F)ccn1.
What is the InChIKey of 3-[4-(4-amino-2-fluorophenoxy)-2-pyridinyl]-1,1-dimethylurea?
The InChIKey is VCIBHJOWEQAWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-19(2)14(20)18-13-8-10(5-6-17-13)21-12-4-3-9(16)7-11(12)15/h3-8H,16H2,1-2H3,(H,17,18,20).
What are the key properties of 3-[4-(4-amino-2-fluorophenoxy)-2-pyridinyl]-1,1-dimethylurea?
3-[4-(4-amino-2-fluorophenoxy)-2-pyridinyl]-1,1-dimethylurea has a molecular weight of 290.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-amino-2-fluorophenoxy)-2-pyridinyl]-1,1-dimethylurea is sourced from PubChem (CID 23153283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).