N-(4-bromophenyl)-2-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

C39H26BrF9N10 — CID 162071945

IUPACN-(4-bromophenyl)-2-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCc1nc2ccc(C(F)(F)F)cn2c1-c1nccc(Nc2ccc(Br)cc2)n1.Cc1nc2ccc(C(F)(F)F)cn2c1-c1nccc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H13F6N5.C19H13BrF3N5/c1-11-17(31-10-13(20(24,25)26)4-7-16(31)28-11)18-27-9-8-15(30-18)29-14-5-2-12(3-6-14)19(21,22)23;1-11-17(28-10-12(19(21,22)23)2-7-16(28)25-11)18-24-9-8-15(27-18)26-14-5-3-13(20)4-6-14/h2-10H,1H3,(H,27,29,30);2-10H,1H3,(H,24,26,27)
InChIKeyZBEZKYHQAPSZRW-UHFFFAOYSA-N
MW885.59 g/mol
LogP11.51
Rot. Bonds6

About N-(4-bromophenyl)-2-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

N-(4-bromophenyl)-2-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 162071945) has the molecular formula C39H26BrF9N10 and a molecular weight of 885.59 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID162071945
Molecular FormulaC39H26BrF9N10
Molecular Weight885.59 g/mol
Exact Mass884.14
IUPAC NameN-(4-bromophenyl)-2-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCc1nc2ccc(C(F)(F)F)cn2c1-c1nccc(Nc2ccc(Br)cc2)n1.Cc1nc2ccc(C(F)(F)F)cn2c1-c1nccc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H13F6N5.C19H13BrF3N5/c1-11-17(31-10-13(20(24,25)26)4-7-16(31)28-11)18-27-9-8-15(30-18)29-14-5-2-12(3-6-14)19(21,22)23;1-11-17(28-10-12(19(21,22)23)2-7-16(28)25-11)18-24-9-8-15(27-18)26-14-5-3-13(20)4-6-14/h2-10H,1H3,(H,27,29,30);2-10H,1H3,(H,24,26,27)
InChIKeyZBEZKYHQAPSZRW-UHFFFAOYSA-N
XLogP11.51
TPSA110.22 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.59
LogP ≤ 511.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-(4-bromophenyl)-2-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine with MolForge

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Related Compounds

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-[(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-[2-(3-Bromo-4-fluorophenyl)-7-dimethylaminomethylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 24745379
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}pyridin-2-ylamine
CID 24745530
8-(4-methylcyclohexyl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299617
N-Cyclopentyl-4-[6,8-dibromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 10165406
6-Bromo-N-butyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine
CID 10229900
6-Bromo-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine
CID 10302207
4-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)pyrimidin-2-amine
CID 44820213
8-(4-methylcyclohexyl)-N-(6-piperazin-1-yl-3-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 90654461
N-[5-(4-aminopiperidin-1-yl)-2-pyridinyl]-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 90654463

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of N-(4-bromophenyl)-2-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 162071945) is N-(4-bromophenyl)-2-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for N-(4-bromophenyl)-2-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for N-(4-bromophenyl)-2-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is Cc1nc2ccc(C(F)(F)F)cn2c1-c1nccc(Nc2ccc(Br)cc2)n1.Cc1nc2ccc(C(F)(F)F)cn2c1-c1nccc(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-(4-bromophenyl)-2-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is ZBEZKYHQAPSZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F6N5.C19H13BrF3N5/c1-11-17(31-10-13(20(24,25)26)4-7-16(31)28-11)18-27-9-8-15(30-18)29-14-5-2-12(3-6-14)19(21,22)23;1-11-17(28-10-12(19(21,22)23)2-7-16(28)25-11)18-24-9-8-15(27-18)26-14-5-3-13(20)4-6-14/h2-10H,1H3,(H,27,29,30);2-10H,1H3,(H,24,26,27).
What are the key properties of N-(4-bromophenyl)-2-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
N-(4-bromophenyl)-2-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 885.59 g/mol, XLogP of 11.51, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 162071945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).