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

C23H25ClN8O — CID 66546705

IUPAC3-[2-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine
SMILESClc1ccccc1CNc1nccc(-c2cnc3c(NCCN4CCOCC4)nccn23)n1
InChIInChI=1S/C23H25ClN8O/c24-18-4-2-1-3-17(18)15-29-23-27-6-5-19(30-23)20-16-28-22-21(26-8-10-32(20)22)25-7-9-31-11-13-33-14-12-31/h1-6,8,10,16H,7,9,11-15H2,(H,25,26)(H,27,29,30)
InChIKeyDPUQNIMHIVQFDK-UHFFFAOYSA-N
MW464.96 g/mol
LogP3.20
Rot. Bonds8

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

3-[2-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 66546705) has the molecular formula C23H25ClN8O and a molecular weight of 464.96 g/mol. Its IUPAC name is 3-[2-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[2-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID66546705
Molecular FormulaC23H25ClN8O
Molecular Weight464.96 g/mol
Exact Mass464.18
IUPAC Name3-[2-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine
SMILESClc1ccccc1CNc1nccc(-c2cnc3c(NCCN4CCOCC4)nccn23)n1
InChIInChI=1S/C23H25ClN8O/c24-18-4-2-1-3-17(18)15-29-23-27-6-5-19(30-23)20-16-28-22-21(26-8-10-32(20)22)25-7-9-31-11-13-33-14-12-31/h1-6,8,10,16H,7,9,11-15H2,(H,25,26)(H,27,29,30)
InChIKeyDPUQNIMHIVQFDK-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-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-[2-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine (CID 66546705) is 3-[2-[(2-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-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-[2-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine is Clc1ccccc1CNc1nccc(-c2cnc3c(NCCN4CCOCC4)nccn23)n1.
What is the InChIKey of 3-[2-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is DPUQNIMHIVQFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN8O/c24-18-4-2-1-3-17(18)15-29-23-27-6-5-19(30-23)20-16-28-22-21(26-8-10-32(20)22)25-7-9-31-11-13-33-14-12-31/h1-6,8,10,16H,7,9,11-15H2,(H,25,26)(H,27,29,30).
What are the key properties of 3-[2-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine?
3-[2-[(2-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-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 66546705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).