8-bromo-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenylimidazo[1,2-c]pyrimidin-5-amine

C31H23BrF3N9 — CID 158921058

IUPAC8-bromo-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenylimidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ccccc3)nc(N)n3ccnc23)cc(C(F)(F)F)n1.Nc1nc(-c2ccccc2)c(Br)c2nccn12
InChIInChI=1S/C19H14F3N5.C12H9BrN4/c1-11-9-13(10-14(25-11)19(20,21)22)15-16(12-5-3-2-4-6-12)26-18(23)27-8-7-24-17(15)27;13-9-10(8-4-2-1-3-5-8)16-12(14)17-7-6-15-11(9)17/h2-10H,1H3,(H2,23,26);1-7H,(H2,14,16)
InChIKeyJHVLMQIRGXELKE-UHFFFAOYSA-N
MW658.49 g/mol
LogP7.11
Rot. Bonds3

About 8-bromo-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenylimidazo[1,2-c]pyrimidin-5-amine

8-bromo-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenylimidazo[1,2-c]pyrimidin-5-amine (PubChem CID 158921058) has the molecular formula C31H23BrF3N9 and a molecular weight of 658.49 g/mol. Its IUPAC name is 8-bromo-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenylimidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-bromo-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenylimidazo[1,2-c]pyrimidin-5-amine
PubChem CID158921058
Molecular FormulaC31H23BrF3N9
Molecular Weight658.49 g/mol
Exact Mass657.12
IUPAC Name8-bromo-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenylimidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ccccc3)nc(N)n3ccnc23)cc(C(F)(F)F)n1.Nc1nc(-c2ccccc2)c(Br)c2nccn12
InChIInChI=1S/C19H14F3N5.C12H9BrN4/c1-11-9-13(10-14(25-11)19(20,21)22)15-16(12-5-3-2-4-6-12)26-18(23)27-8-7-24-17(15)27;13-9-10(8-4-2-1-3-5-8)16-12(14)17-7-6-15-11(9)17/h2-10H,1H3,(H2,23,26);1-7H,(H2,14,16)
InChIKeyJHVLMQIRGXELKE-UHFFFAOYSA-N
XLogP7.11
TPSA125.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.49
LogP ≤ 57.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

Fazadinium Bromide
CID 6321422
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine
CID 135233366
3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine
CID 10249182
9-[1-({4-[3-phenyl-5-(1H-1,2,3,4-tetrazol-5-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-9H-purin-6-amine
CID 11180086
US11420970, Example 198
CID 156073186
Cyclopentyl-{4-[2-(4-fluoro-phenyl)-5-(4-methyl-piperazin-1-yl)-imidazo[4,5-b]pyridin-1-yl]-pyrimidin-2-yl}-amine
CID 9826083
4-(2-(4-Fluorophenyl)-7-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 9844057
2-Phenyl-3-[2-((S)-1-phenyl-ethylamino)-pyrimidin-4-yl]-imidazo[1,2-a]pyrimidin-7-ylamine
CID 9953203
{4-[(S)-2-(4-Fluoro-phenyl)-5-(4-methyl-piperazin-1-yl)-imidazo[4,5-b]pyridin-1-yl]-pyrimidin-2-yl}-(1-phenyl-ethyl)-amine
CID 9957918
4-(7-(1-Ethylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 10070518
4-(7-((dimethylamino)methyl)-2-(4-fluorophenyl)H-imidazo[1,2-a]pyridin-3-yl)-N-((S)-1-phenylethyl)pyrimidin-2-amine
CID 10162057

Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenylimidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of 8-bromo-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenylimidazo[1,2-c]pyrimidin-5-amine (CID 158921058) is 8-bromo-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenylimidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for 8-bromo-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenylimidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for 8-bromo-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenylimidazo[1,2-c]pyrimidin-5-amine is Cc1cc(-c2c(-c3ccccc3)nc(N)n3ccnc23)cc(C(F)(F)F)n1.Nc1nc(-c2ccccc2)c(Br)c2nccn12.
What is the InChIKey of 8-bromo-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenylimidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is JHVLMQIRGXELKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5.C12H9BrN4/c1-11-9-13(10-14(25-11)19(20,21)22)15-16(12-5-3-2-4-6-12)26-18(23)27-8-7-24-17(15)27;13-9-10(8-4-2-1-3-5-8)16-12(14)17-7-6-15-11(9)17/h2-10H,1H3,(H2,23,26);1-7H,(H2,14,16).
What are the key properties of 8-bromo-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenylimidazo[1,2-c]pyrimidin-5-amine?
8-bromo-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenylimidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 658.49 g/mol, XLogP of 7.11, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenylimidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 158921058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).