3-[2-[(3-chlorophenyl)methylamino]pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine

C23H25ClN8O — CID 66546707

IUPAC3-[2-[(3-chlorophenyl)methylamino]pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine
SMILESClc1cccc(CNc2nccc(-c3cnc4c(NCCN5CCOCC5)nccn34)n2)c1
InChIInChI=1S/C23H25ClN8O/c24-18-3-1-2-17(14-18)15-29-23-27-5-4-19(30-23)20-16-28-22-21(26-7-9-32(20)22)25-6-8-31-10-12-33-13-11-31/h1-5,7,9,14,16H,6,8,10-13,15H2,(H,25,26)(H,27,29,30)
InChIKeyUJBZSOWOCAPBSI-UHFFFAOYSA-N
MW464.96 g/mol
LogP3.20
Rot. Bonds8

About 3-[2-[(3-chlorophenyl)methylamino]pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine

3-[2-[(3-chlorophenyl)methylamino]pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 66546707) has the molecular formula C23H25ClN8O and a molecular weight of 464.96 g/mol. Its IUPAC name is 3-[2-[(3-chlorophenyl)methylamino]pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[2-[(3-chlorophenyl)methylamino]pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID66546707
Molecular FormulaC23H25ClN8O
Molecular Weight464.96 g/mol
Exact Mass464.18
IUPAC Name3-[2-[(3-chlorophenyl)methylamino]pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine
SMILESClc1cccc(CNc2nccc(-c3cnc4c(NCCN5CCOCC5)nccn34)n2)c1
InChIInChI=1S/C23H25ClN8O/c24-18-3-1-2-17(14-18)15-29-23-27-5-4-19(30-23)20-16-28-22-21(26-7-9-32(20)22)25-6-8-31-10-12-33-13-11-31/h1-5,7,9,14,16H,6,8,10-13,15H2,(H,25,26)(H,27,29,30)
InChIKeyUJBZSOWOCAPBSI-UHFFFAOYSA-N
XLogP3.20
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.96
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-chlorophenyl)methylamino]pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-[2-[(3-chlorophenyl)methylamino]pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine (CID 66546707) is 3-[2-[(3-chlorophenyl)methylamino]pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-[2-[(3-chlorophenyl)methylamino]pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-[2-[(3-chlorophenyl)methylamino]pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine is Clc1cccc(CNc2nccc(-c3cnc4c(NCCN5CCOCC5)nccn34)n2)c1.
What is the InChIKey of 3-[2-[(3-chlorophenyl)methylamino]pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is UJBZSOWOCAPBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN8O/c24-18-3-1-2-17(14-18)15-29-23-27-5-4-19(30-23)20-16-28-22-21(26-7-9-32(20)22)25-6-8-31-10-12-33-13-11-31/h1-5,7,9,14,16H,6,8,10-13,15H2,(H,25,26)(H,27,29,30).
What are the key properties of 3-[2-[(3-chlorophenyl)methylamino]pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine?
3-[2-[(3-chlorophenyl)methylamino]pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 464.96 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-chlorophenyl)methylamino]pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 66546707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).