N-(4-bromophenyl)-7-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-amine

C23H22BrN5O2 — CID 20806167

IUPACN-(4-bromophenyl)-7-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCOc1cc(-c2cc3nccn3c(Nc3ccc(Br)cc3)n2)ccc1N1CCOCC1
InChIInChI=1S/C23H22BrN5O2/c1-30-21-14-16(2-7-20(21)28-10-12-31-13-11-28)19-15-22-25-8-9-29(22)23(27-19)26-18-5-3-17(24)4-6-18/h2-9,14-15H,10-13H2,1H3,(H,26,27)
InChIKeyVYDLHUMWSAVZMV-UHFFFAOYSA-N
MW480.37 g/mol
LogP4.75
Rot. Bonds5

About N-(4-bromophenyl)-7-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-amine

N-(4-bromophenyl)-7-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 20806167) has the molecular formula C23H22BrN5O2 and a molecular weight of 480.37 g/mol. Its IUPAC name is N-(4-bromophenyl)-7-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-7-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-amine
PubChem CID20806167
Molecular FormulaC23H22BrN5O2
Molecular Weight480.37 g/mol
Exact Mass479.10
IUPAC NameN-(4-bromophenyl)-7-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCOc1cc(-c2cc3nccn3c(Nc3ccc(Br)cc3)n2)ccc1N1CCOCC1
InChIInChI=1S/C23H22BrN5O2/c1-30-21-14-16(2-7-20(21)28-10-12-31-13-11-28)19-15-22-25-8-9-29(22)23(27-19)26-18-5-3-17(24)4-6-18/h2-9,14-15H,10-13H2,1H3,(H,26,27)
InChIKeyVYDLHUMWSAVZMV-UHFFFAOYSA-N
XLogP4.75
TPSA63.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.37
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-7-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of N-(4-bromophenyl)-7-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-amine (CID 20806167) is N-(4-bromophenyl)-7-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for N-(4-bromophenyl)-7-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for N-(4-bromophenyl)-7-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-amine is COc1cc(-c2cc3nccn3c(Nc3ccc(Br)cc3)n2)ccc1N1CCOCC1.
What is the InChIKey of N-(4-bromophenyl)-7-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is VYDLHUMWSAVZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrN5O2/c1-30-21-14-16(2-7-20(21)28-10-12-31-13-11-28)19-15-22-25-8-9-29(22)23(27-19)26-18-5-3-17(24)4-6-18/h2-9,14-15H,10-13H2,1H3,(H,26,27).
What are the key properties of N-(4-bromophenyl)-7-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-amine?
N-(4-bromophenyl)-7-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 480.37 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-7-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 20806167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).