4-(4-aminophenoxy)-3-(1,3-diazinan-2-yl)pyridin-2-amine

C15H19N5O — CID 88973251

IUPAC4-(4-aminophenoxy)-3-(1,3-diazinan-2-yl)pyridin-2-amine
SMILESNc1ccc(Oc2ccnc(N)c2C2NCCCN2)cc1
InChIInChI=1S/C15H19N5O/c16-10-2-4-11(5-3-10)21-12-6-9-18-14(17)13(12)15-19-7-1-8-20-15/h2-6,9,15,19-20H,1,7-8,16H2,(H2,17,18)
InChIKeyPLAZAUQPDDOXQK-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.62
Rot. Bonds3

About 4-(4-aminophenoxy)-3-(1,3-diazinan-2-yl)pyridin-2-amine

4-(4-aminophenoxy)-3-(1,3-diazinan-2-yl)pyridin-2-amine (PubChem CID 88973251) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-(4-aminophenoxy)-3-(1,3-diazinan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-(4-aminophenoxy)-3-(1,3-diazinan-2-yl)pyridin-2-amine
PubChem CID88973251
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name4-(4-aminophenoxy)-3-(1,3-diazinan-2-yl)pyridin-2-amine
SMILESNc1ccc(Oc2ccnc(N)c2C2NCCCN2)cc1
InChIInChI=1S/C15H19N5O/c16-10-2-4-11(5-3-10)21-12-6-9-18-14(17)13(12)15-19-7-1-8-20-15/h2-6,9,15,19-20H,1,7-8,16H2,(H2,17,18)
InChIKeyPLAZAUQPDDOXQK-UHFFFAOYSA-N
XLogP1.62
TPSA98.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenoxy)-3-(1,3-diazinan-2-yl)pyridin-2-amine?
The IUPAC name of 4-(4-aminophenoxy)-3-(1,3-diazinan-2-yl)pyridin-2-amine (CID 88973251) is 4-(4-aminophenoxy)-3-(1,3-diazinan-2-yl)pyridin-2-amine.
What is the SMILES notation for 4-(4-aminophenoxy)-3-(1,3-diazinan-2-yl)pyridin-2-amine?
The canonical SMILES for 4-(4-aminophenoxy)-3-(1,3-diazinan-2-yl)pyridin-2-amine is Nc1ccc(Oc2ccnc(N)c2C2NCCCN2)cc1.
What is the InChIKey of 4-(4-aminophenoxy)-3-(1,3-diazinan-2-yl)pyridin-2-amine?
The InChIKey is PLAZAUQPDDOXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c16-10-2-4-11(5-3-10)21-12-6-9-18-14(17)13(12)15-19-7-1-8-20-15/h2-6,9,15,19-20H,1,7-8,16H2,(H2,17,18).
What are the key properties of 4-(4-aminophenoxy)-3-(1,3-diazinan-2-yl)pyridin-2-amine?
4-(4-aminophenoxy)-3-(1,3-diazinan-2-yl)pyridin-2-amine has a molecular weight of 285.35 g/mol, XLogP of 1.62, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenoxy)-3-(1,3-diazinan-2-yl)pyridin-2-amine is sourced from PubChem (CID 88973251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).