6-(2-imidazo[1,2-a]pyridin-3-ylmorpholin-4-yl)pyrimidine-2,4-diamine

C15H17N7O — CID 171446091

IUPAC6-(2-imidazo[1,2-a]pyridin-3-ylmorpholin-4-yl)pyrimidine-2,4-diamine
SMILESNc1cc(N2CCOC(c3cnc4ccccn34)C2)nc(N)n1
InChIInChI=1S/C15H17N7O/c16-12-7-14(20-15(17)19-12)21-5-6-23-11(9-21)10-8-18-13-3-1-2-4-22(10)13/h1-4,7-8,11H,5-6,9H2,(H4,16,17,19,20)
InChIKeyZJFBVTKMXAHPCO-UHFFFAOYSA-N
MW311.35 g/mol
LogP0.87
Rot. Bonds2

About 6-(2-imidazo[1,2-a]pyridin-3-ylmorpholin-4-yl)pyrimidine-2,4-diamine

6-(2-imidazo[1,2-a]pyridin-3-ylmorpholin-4-yl)pyrimidine-2,4-diamine (PubChem CID 171446091) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is 6-(2-imidazo[1,2-a]pyridin-3-ylmorpholin-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2-imidazo[1,2-a]pyridin-3-ylmorpholin-4-yl)pyrimidine-2,4-diamine
PubChem CID171446091
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name6-(2-imidazo[1,2-a]pyridin-3-ylmorpholin-4-yl)pyrimidine-2,4-diamine
SMILESNc1cc(N2CCOC(c3cnc4ccccn34)C2)nc(N)n1
InChIInChI=1S/C15H17N7O/c16-12-7-14(20-15(17)19-12)21-5-6-23-11(9-21)10-8-18-13-3-1-2-4-22(10)13/h1-4,7-8,11H,5-6,9H2,(H4,16,17,19,20)
InChIKeyZJFBVTKMXAHPCO-UHFFFAOYSA-N
XLogP0.87
TPSA107.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2-imidazo[1,2-a]pyridin-3-ylmorpholin-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(2-imidazo[1,2-a]pyridin-3-ylmorpholin-4-yl)pyrimidine-2,4-diamine (CID 171446091) is 6-(2-imidazo[1,2-a]pyridin-3-ylmorpholin-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2-imidazo[1,2-a]pyridin-3-ylmorpholin-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(2-imidazo[1,2-a]pyridin-3-ylmorpholin-4-yl)pyrimidine-2,4-diamine is Nc1cc(N2CCOC(c3cnc4ccccn34)C2)nc(N)n1.
What is the InChIKey of 6-(2-imidazo[1,2-a]pyridin-3-ylmorpholin-4-yl)pyrimidine-2,4-diamine?
The InChIKey is ZJFBVTKMXAHPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c16-12-7-14(20-15(17)19-12)21-5-6-23-11(9-21)10-8-18-13-3-1-2-4-22(10)13/h1-4,7-8,11H,5-6,9H2,(H4,16,17,19,20).
What are the key properties of 6-(2-imidazo[1,2-a]pyridin-3-ylmorpholin-4-yl)pyrimidine-2,4-diamine?
6-(2-imidazo[1,2-a]pyridin-3-ylmorpholin-4-yl)pyrimidine-2,4-diamine has a molecular weight of 311.35 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-imidazo[1,2-a]pyridin-3-ylmorpholin-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 171446091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).