N-(4-bromophenyl)-7-[3-methoxy-4-[2-methoxyethyl(methyl)amino]phenyl]imidazo[1,2-c]pyrimidin-5-amine

C23H24BrN5O2 — CID 20806166

IUPACN-(4-bromophenyl)-7-[3-methoxy-4-[2-methoxyethyl(methyl)amino]phenyl]imidazo[1,2-c]pyrimidin-5-amine
SMILESCOCCN(C)c1ccc(-c2cc3nccn3c(Nc3ccc(Br)cc3)n2)cc1OC
InChIInChI=1S/C23H24BrN5O2/c1-28(12-13-30-2)20-9-4-16(14-21(20)31-3)19-15-22-25-10-11-29(22)23(27-19)26-18-7-5-17(24)6-8-18/h4-11,14-15H,12-13H2,1-3H3,(H,26,27)
InChIKeyKMRCTUOGDHXIEX-UHFFFAOYSA-N
MW482.38 g/mol
LogP4.99
Rot. Bonds8

About N-(4-bromophenyl)-7-[3-methoxy-4-[2-methoxyethyl(methyl)amino]phenyl]imidazo[1,2-c]pyrimidin-5-amine

N-(4-bromophenyl)-7-[3-methoxy-4-[2-methoxyethyl(methyl)amino]phenyl]imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 20806166) has the molecular formula C23H24BrN5O2 and a molecular weight of 482.38 g/mol. Its IUPAC name is N-(4-bromophenyl)-7-[3-methoxy-4-[2-methoxyethyl(methyl)amino]phenyl]imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-7-[3-methoxy-4-[2-methoxyethyl(methyl)amino]phenyl]imidazo[1,2-c]pyrimidin-5-amine
PubChem CID20806166
Molecular FormulaC23H24BrN5O2
Molecular Weight482.38 g/mol
Exact Mass481.11
IUPAC NameN-(4-bromophenyl)-7-[3-methoxy-4-[2-methoxyethyl(methyl)amino]phenyl]imidazo[1,2-c]pyrimidin-5-amine
SMILESCOCCN(C)c1ccc(-c2cc3nccn3c(Nc3ccc(Br)cc3)n2)cc1OC
InChIInChI=1S/C23H24BrN5O2/c1-28(12-13-30-2)20-9-4-16(14-21(20)31-3)19-15-22-25-10-11-29(22)23(27-19)26-18-7-5-17(24)6-8-18/h4-11,14-15H,12-13H2,1-3H3,(H,26,27)
InChIKeyKMRCTUOGDHXIEX-UHFFFAOYSA-N
XLogP4.99
TPSA63.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.38
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-Pyrimidinamine, N-(2-methoxyphenyl)-4-(2-phenyl-1H-imidazol-1-yl)-
CID 5329418
2-N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine
CID 73387151
N2-(4-(1,2-dimethyl-1H-imidazol-5-yl)-2-methoxyphenyl)-N8-neopentylpyrido[3,4-d]pyrimidine-2,8-diamine
CID 89996108
2-(4-(5-Chloro-4-(imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-ylamino)-3-methoxyphenyl)propane-1,3-diol
CID 56670457
6-Bromo-2-[4-(2-methoxyphenyl)piperazin-1-ylmethyl]imidazo[1,2-a]pyridine
CID 11574902
8-Bromo-2-[4-(2-methoxyphenyl)piperazin-1-ylmethyl]-6-methylimidazo[1,2-a]pyridine
CID 11661609
2-[4-(2-Methoxyphenyl)piperazin-1-ylmethyl]-6-methyl-8-phenylimidazo[1,2-a]pyridine
CID 11697270
5-[(4-Bromophenyl)methyl]-2-(3-methoxyphenyl)imidazo[4,5-c]pyridine
CID 10363200
N2-(4-Bromo-2-methoxy-6-methylphenyl)-N7,N7-bis(2-methoxyethyl)-1-methyl-1H-benzimidazole-2,7-diamine
CID 11271502
3-(3-Dimethylaminomethyl-cyclobutyl)-1-(3-benzyloxyphenyl)-imidazo[1,5-a]pyrazin-8-ylamine
CID 11604324
1-(3-Benzyloxy-phenyl)-3-cyclobutyl-imidazo[1,5-a]pyrazin-8-ylamine
CID 11773105
(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine
CID 24852452

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-7-[3-methoxy-4-[2-methoxyethyl(methyl)amino]phenyl]imidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of N-(4-bromophenyl)-7-[3-methoxy-4-[2-methoxyethyl(methyl)amino]phenyl]imidazo[1,2-c]pyrimidin-5-amine (CID 20806166) is N-(4-bromophenyl)-7-[3-methoxy-4-[2-methoxyethyl(methyl)amino]phenyl]imidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for N-(4-bromophenyl)-7-[3-methoxy-4-[2-methoxyethyl(methyl)amino]phenyl]imidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for N-(4-bromophenyl)-7-[3-methoxy-4-[2-methoxyethyl(methyl)amino]phenyl]imidazo[1,2-c]pyrimidin-5-amine is COCCN(C)c1ccc(-c2cc3nccn3c(Nc3ccc(Br)cc3)n2)cc1OC.
What is the InChIKey of N-(4-bromophenyl)-7-[3-methoxy-4-[2-methoxyethyl(methyl)amino]phenyl]imidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is KMRCTUOGDHXIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN5O2/c1-28(12-13-30-2)20-9-4-16(14-21(20)31-3)19-15-22-25-10-11-29(22)23(27-19)26-18-7-5-17(24)6-8-18/h4-11,14-15H,12-13H2,1-3H3,(H,26,27).
What are the key properties of N-(4-bromophenyl)-7-[3-methoxy-4-[2-methoxyethyl(methyl)amino]phenyl]imidazo[1,2-c]pyrimidin-5-amine?
N-(4-bromophenyl)-7-[3-methoxy-4-[2-methoxyethyl(methyl)amino]phenyl]imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 482.38 g/mol, XLogP of 4.99, 8 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-[2-methoxyethyl(methyl)amino]phenyl]imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 20806166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).