5-[1-[4-(4-chloro-3-methylphenyl)-6-methylpyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine;5-[1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine

C39H29ClF4N12 — CID 158232202

IUPAC5-[1-[4-(4-chloro-3-methylphenyl)-6-methylpyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine;5-[1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine
SMILESCc1cc(-c2ccc(Cl)c(C)c2)nc(-n2cnc(-c3ccc(N)nc3)c2)n1.Nc1ccc(-c2cn(-c3nc(-c4ccc(F)cc4)cc(C(F)(F)F)n3)cn2)cn1
InChIInChI=1S/C20H17ClN6.C19H12F4N6/c1-12-7-14(3-5-16(12)21)17-8-13(2)25-20(26-17)27-10-18(24-11-27)15-4-6-19(22)23-9-15;20-13-4-1-11(2-5-13)14-7-16(19(21,22)23)28-18(27-14)29-9-15(26-10-29)12-3-6-17(24)25-8-12/h3-11H,1-2H3,(H2,22,23);1-10H,(H2,24,25)
InChIKeyGEMZTKYEUGPZOR-UHFFFAOYSA-N
MW777.19 g/mol
LogP8.38
Rot. Bonds6

About 5-[1-[4-(4-chloro-3-methylphenyl)-6-methylpyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine;5-[1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine

5-[1-[4-(4-chloro-3-methylphenyl)-6-methylpyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine;5-[1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine (PubChem CID 158232202) has the molecular formula C39H29ClF4N12 and a molecular weight of 777.19 g/mol. Its IUPAC name is 5-[1-[4-(4-chloro-3-methylphenyl)-6-methylpyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine;5-[1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[1-[4-(4-chloro-3-methylphenyl)-6-methylpyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine;5-[1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine
PubChem CID158232202
Molecular FormulaC39H29ClF4N12
Molecular Weight777.19 g/mol
Exact Mass776.23
IUPAC Name5-[1-[4-(4-chloro-3-methylphenyl)-6-methylpyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine;5-[1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine
SMILESCc1cc(-c2ccc(Cl)c(C)c2)nc(-n2cnc(-c3ccc(N)nc3)c2)n1.Nc1ccc(-c2cn(-c3nc(-c4ccc(F)cc4)cc(C(F)(F)F)n3)cn2)cn1
InChIInChI=1S/C20H17ClN6.C19H12F4N6/c1-12-7-14(3-5-16(12)21)17-8-13(2)25-20(26-17)27-10-18(24-11-27)15-4-6-19(22)23-9-15;20-13-4-1-11(2-5-13)14-7-16(19(21,22)23)28-18(27-14)29-9-15(26-10-29)12-3-6-17(24)25-8-12/h3-11H,1-2H3,(H2,22,23);1-10H,(H2,24,25)
InChIKeyGEMZTKYEUGPZOR-UHFFFAOYSA-N
XLogP8.38
TPSA165.02 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500777.19
LogP ≤ 58.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 5-[1-[4-(4-chloro-3-methylphenyl)-6-methylpyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine;5-[1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine with MolForge

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Related Compounds

(2-Chlorobenzyl)-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24744107
(4-Chlorobenzyl)-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24745529
13-Chloro-6-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-8-methyl-3,5,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 11212921
N-(4-(1-((6-aminopyridin-2-yl)methyl)-5-(2-chlorophenyl)-1H-pyrrol-2-yl)phenyl)pyrimidin-5-amine
CID 11546946
[4-(2,4-Dichlorophenyl)-5-imidazolylpyrimidin-2-yl]{2-[(5-trifluoromethyl(2-pyridyl))amino]ethyl}amine
CID 22142836
6-{4-[4-(4-Fluoro-3-trifluoromethyl-phenyl)-1-methyl-1H-imidazol-2-yl]-piperidin-1-yl}-5-pyridin-4-yl-pyrimidin-4-ylamine
CID 89445387
6-{4-[4-(4-Fluoro-3-trifluoromethyl-phenyl)-1-methyl-1H-imidazol-2-yl]-piperidin-1-yl}-[5,5']bipyrimidinyl-4-ylamine
CID 89450695
5-(4-Fluorophenyl)-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(2-piperidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 89450703
1-[1-[8-(2-Chlorophenyl)-9-[6-(trifluoromethyl)pyridin-3-yl]purin-6-yl]piperidin-4-yl]-3-(2-fluorophenyl)urea
CID 135156483
2-N-(3-chloro-4-fluorophenyl)-6-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 141494023
4-[5-(4-chlorophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 155352399
11-Chloro-6-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-8-methyl-3,5,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
CID 11396606

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(4-chloro-3-methylphenyl)-6-methylpyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine;5-[1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 5-[1-[4-(4-chloro-3-methylphenyl)-6-methylpyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine;5-[1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine (CID 158232202) is 5-[1-[4-(4-chloro-3-methylphenyl)-6-methylpyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine;5-[1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 5-[1-[4-(4-chloro-3-methylphenyl)-6-methylpyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine;5-[1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 5-[1-[4-(4-chloro-3-methylphenyl)-6-methylpyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine;5-[1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine is Cc1cc(-c2ccc(Cl)c(C)c2)nc(-n2cnc(-c3ccc(N)nc3)c2)n1.Nc1ccc(-c2cn(-c3nc(-c4ccc(F)cc4)cc(C(F)(F)F)n3)cn2)cn1.
What is the InChIKey of 5-[1-[4-(4-chloro-3-methylphenyl)-6-methylpyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine;5-[1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine?
The InChIKey is GEMZTKYEUGPZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6.C19H12F4N6/c1-12-7-14(3-5-16(12)21)17-8-13(2)25-20(26-17)27-10-18(24-11-27)15-4-6-19(22)23-9-15;20-13-4-1-11(2-5-13)14-7-16(19(21,22)23)28-18(27-14)29-9-15(26-10-29)12-3-6-17(24)25-8-12/h3-11H,1-2H3,(H2,22,23);1-10H,(H2,24,25).
What are the key properties of 5-[1-[4-(4-chloro-3-methylphenyl)-6-methylpyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine;5-[1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine?
5-[1-[4-(4-chloro-3-methylphenyl)-6-methylpyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine;5-[1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine has a molecular weight of 777.19 g/mol, XLogP of 8.38, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(4-chloro-3-methylphenyl)-6-methylpyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine;5-[1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 158232202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).