4-(4-chlorophenyl)-2-methyl-6-propan-2-ylpyrimidine;2-(3-chlorophenyl)-5-propan-2-ylpyrazine;2-(3-chlorophenyl)-6-propan-2-ylpyrazine;2-(4-chlorophenyl)-5-propan-2-ylpyrazine;2-(4-chlorophenyl)-6-propan-2-ylpyrazine;2-phenyl-6-propan-2-ylpyrazine;2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]pyrazine;2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]pyrazine

C107H107Cl5F6N16 — CID 160777899

IUPAC4-(4-chlorophenyl)-2-methyl-6-propan-2-ylpyrimidine;2-(3-chlorophenyl)-5-propan-2-ylpyrazine;2-(3-chlorophenyl)-6-propan-2-ylpyrazine;2-(4-chlorophenyl)-5-propan-2-ylpyrazine;2-(4-chlorophenyl)-6-propan-2-ylpyrazine;2-phenyl-6-propan-2-ylpyrazine;2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]pyrazine;2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]pyrazine
SMILESCC(C)c1cnc(-c2ccc(Cl)cc2)cn1.CC(C)c1cnc(-c2cccc(Cl)c2)cn1.CC(C)c1cncc(-c2ccc(C(F)(F)F)cc2)n1.CC(C)c1cncc(-c2ccc(Cl)cc2)n1.CC(C)c1cncc(-c2cccc(C(F)(F)F)c2)n1.CC(C)c1cncc(-c2cccc(Cl)c2)n1.CC(C)c1cncc(-c2ccccc2)n1.Cc1nc(-c2ccc(Cl)cc2)cc(C(C)C)n1
InChIInChI=1S/C14H15ClN2.2C14H13F3N2.4C13H13ClN2.C13H14N2/c1-9(2)13-8-14(17-10(3)16-13)11-4-6-12(15)7-5-11;1-9(2)12-7-18-8-13(19-12)10-3-5-11(6-4-10)14(15,16)17;1-9(2)12-7-18-8-13(19-12)10-4-3-5-11(6-10)14(15,16)17;1-9(2)12-7-16-13(8-15-12)10-3-5-11(14)6-4-10;1-9(2)12-7-15-8-13(16-12)10-3-5-11(14)6-4-10;1-9(2)12-7-16-13(8-15-12)10-4-3-5-11(14)6-10;1-9(2)12-7-15-8-13(16-12)10-4-3-5-11(14)6-10;1-10(2)12-8-14-9-13(15-12)11-6-4-3-5-7-11/h4-9H,1-3H3;2*3-9H,1-2H3;4*3-9H,1-2H3;3-10H,1-2H3
InChIKeySAEQHXPCIUENLI-UHFFFAOYSA-N
MW1908.40 g/mol
LogP31.75
Rot. Bonds16

About 4-(4-chlorophenyl)-2-methyl-6-propan-2-ylpyrimidine;2-(3-chlorophenyl)-5-propan-2-ylpyrazine;2-(3-chlorophenyl)-6-propan-2-ylpyrazine;2-(4-chlorophenyl)-5-propan-2-ylpyrazine;2-(4-chlorophenyl)-6-propan-2-ylpyrazine;2-phenyl-6-propan-2-ylpyrazine;2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]pyrazine;2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]pyrazine

4-(4-chlorophenyl)-2-methyl-6-propan-2-ylpyrimidine;2-(3-chlorophenyl)-5-propan-2-ylpyrazine;2-(3-chlorophenyl)-6-propan-2-ylpyrazine;2-(4-chlorophenyl)-5-propan-2-ylpyrazine;2-(4-chlorophenyl)-6-propan-2-ylpyrazine;2-phenyl-6-propan-2-ylpyrazine;2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]pyrazine;2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]pyrazine (PubChem CID 160777899) has the molecular formula C107H107Cl5F6N16 and a molecular weight of 1908.40 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-methyl-6-propan-2-ylpyrimidine;2-(3-chlorophenyl)-5-propan-2-ylpyrazine;2-(3-chlorophenyl)-6-propan-2-ylpyrazine;2-(4-chlorophenyl)-5-propan-2-ylpyrazine;2-(4-chlorophenyl)-6-propan-2-ylpyrazine;2-phenyl-6-propan-2-ylpyrazine;2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]pyrazine;2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]pyrazine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-methyl-6-propan-2-ylpyrimidine;2-(3-chlorophenyl)-5-propan-2-ylpyrazine;2-(3-chlorophenyl)-6-propan-2-ylpyrazine;2-(4-chlorophenyl)-5-propan-2-ylpyrazine;2-(4-chlorophenyl)-6-propan-2-ylpyrazine;2-phenyl-6-propan-2-ylpyrazine;2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]pyrazine;2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]pyrazine
PubChem CID160777899
Molecular FormulaC107H107Cl5F6N16
Molecular Weight1908.40 g/mol
Exact Mass1904.72
IUPAC Name4-(4-chlorophenyl)-2-methyl-6-propan-2-ylpyrimidine;2-(3-chlorophenyl)-5-propan-2-ylpyrazine;2-(3-chlorophenyl)-6-propan-2-ylpyrazine;2-(4-chlorophenyl)-5-propan-2-ylpyrazine;2-(4-chlorophenyl)-6-propan-2-ylpyrazine;2-phenyl-6-propan-2-ylpyrazine;2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]pyrazine;2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]pyrazine
SMILESCC(C)c1cnc(-c2ccc(Cl)cc2)cn1.CC(C)c1cnc(-c2cccc(Cl)c2)cn1.CC(C)c1cncc(-c2ccc(C(F)(F)F)cc2)n1.CC(C)c1cncc(-c2ccc(Cl)cc2)n1.CC(C)c1cncc(-c2cccc(C(F)(F)F)c2)n1.CC(C)c1cncc(-c2cccc(Cl)c2)n1.CC(C)c1cncc(-c2ccccc2)n1.Cc1nc(-c2ccc(Cl)cc2)cc(C(C)C)n1
InChIInChI=1S/C14H15ClN2.2C14H13F3N2.4C13H13ClN2.C13H14N2/c1-9(2)13-8-14(17-10(3)16-13)11-4-6-12(15)7-5-11;1-9(2)12-7-18-8-13(19-12)10-3-5-11(6-4-10)14(15,16)17;1-9(2)12-7-18-8-13(19-12)10-4-3-5-11(6-10)14(15,16)17;1-9(2)12-7-16-13(8-15-12)10-3-5-11(14)6-4-10;1-9(2)12-7-15-8-13(16-12)10-3-5-11(14)6-4-10;1-9(2)12-7-16-13(8-15-12)10-4-3-5-11(14)6-10;1-9(2)12-7-15-8-13(16-12)10-4-3-5-11(14)6-10;1-10(2)12-8-14-9-13(15-12)11-6-4-3-5-7-11/h4-9H,1-3H3;2*3-9H,1-2H3;4*3-9H,1-2H3;3-10H,1-2H3
InChIKeySAEQHXPCIUENLI-UHFFFAOYSA-N
XLogP31.75
TPSA206.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001908.40
LogP ≤ 531.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 4-(4-chlorophenyl)-2-methyl-6-propan-2-ylpyrimidine;2-(3-chlorophenyl)-5-propan-2-ylpyrazine;2-(3-chlorophenyl)-6-propan-2-ylpyrazine;2-(4-chlorophenyl)-5-propan-2-ylpyrazine;2-(4-chlorophenyl)-6-propan-2-ylpyrazine;2-phenyl-6-propan-2-ylpyrazine;2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]pyrazine;2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]pyrazine with MolForge

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Related Compounds

1-[4-(3-chloro-4-fluorophenyl)-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidin-2-yl]-N,N-diethylpiperidin-4-amine
CID 57761041
4-(3-Chloro-4-fluorophenyl)-2-(3-methylpyridin-2-yl)-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidine
CID 57761182
4-(3-Chloro-4-fluoro-phenyl)-2-(1-propyl-piperidin-4-yl)-6-[4-(3-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-pyrimidine
CID 57761194
4-(3-Chloro-4-fluorophenyl)-2,6-bis[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidine
CID 57761221
4-(3-Chloro-4-fluorophenyl)-2-pyridin-2-yl-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidine
CID 57761316
4-(3-Chloro-4-fluorophenyl)-2-pyridin-3-yl-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidine
CID 57761389
4-(3-Chloro-4-fluorophenyl)-6-(4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-2-(pyridin-4-yl)pyrimidine
CID 57761720
4-(3-Chlorophenyl)-2-(2-propan-2-ylimidazol-1-yl)-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidine
CID 57761733
4-(3-chlorophenyl)-N-(cycloheptylmethyl)-N-(2-phenylethyl)-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidin-2-amine
CID 57761865
4-(3-Chloro-4-fluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidine
CID 57761874
CID 58731988
CID 58731988
3-(3-Chloro-4-pyridinyl)-2-(4-fluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pyrazine
CID 71199852

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-methyl-6-propan-2-ylpyrimidine;2-(3-chlorophenyl)-5-propan-2-ylpyrazine;2-(3-chlorophenyl)-6-propan-2-ylpyrazine;2-(4-chlorophenyl)-5-propan-2-ylpyrazine;2-(4-chlorophenyl)-6-propan-2-ylpyrazine;2-phenyl-6-propan-2-ylpyrazine;2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]pyrazine;2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]pyrazine?
The IUPAC name of 4-(4-chlorophenyl)-2-methyl-6-propan-2-ylpyrimidine;2-(3-chlorophenyl)-5-propan-2-ylpyrazine;2-(3-chlorophenyl)-6-propan-2-ylpyrazine;2-(4-chlorophenyl)-5-propan-2-ylpyrazine;2-(4-chlorophenyl)-6-propan-2-ylpyrazine;2-phenyl-6-propan-2-ylpyrazine;2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]pyrazine;2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]pyrazine (CID 160777899) is 4-(4-chlorophenyl)-2-methyl-6-propan-2-ylpyrimidine;2-(3-chlorophenyl)-5-propan-2-ylpyrazine;2-(3-chlorophenyl)-6-propan-2-ylpyrazine;2-(4-chlorophenyl)-5-propan-2-ylpyrazine;2-(4-chlorophenyl)-6-propan-2-ylpyrazine;2-phenyl-6-propan-2-ylpyrazine;2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]pyrazine;2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]pyrazine.
What is the SMILES notation for 4-(4-chlorophenyl)-2-methyl-6-propan-2-ylpyrimidine;2-(3-chlorophenyl)-5-propan-2-ylpyrazine;2-(3-chlorophenyl)-6-propan-2-ylpyrazine;2-(4-chlorophenyl)-5-propan-2-ylpyrazine;2-(4-chlorophenyl)-6-propan-2-ylpyrazine;2-phenyl-6-propan-2-ylpyrazine;2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]pyrazine;2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]pyrazine?
The canonical SMILES for 4-(4-chlorophenyl)-2-methyl-6-propan-2-ylpyrimidine;2-(3-chlorophenyl)-5-propan-2-ylpyrazine;2-(3-chlorophenyl)-6-propan-2-ylpyrazine;2-(4-chlorophenyl)-5-propan-2-ylpyrazine;2-(4-chlorophenyl)-6-propan-2-ylpyrazine;2-phenyl-6-propan-2-ylpyrazine;2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]pyrazine;2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]pyrazine is CC(C)c1cnc(-c2ccc(Cl)cc2)cn1.CC(C)c1cnc(-c2cccc(Cl)c2)cn1.CC(C)c1cncc(-c2ccc(C(F)(F)F)cc2)n1.CC(C)c1cncc(-c2ccc(Cl)cc2)n1.CC(C)c1cncc(-c2cccc(C(F)(F)F)c2)n1.CC(C)c1cncc(-c2cccc(Cl)c2)n1.CC(C)c1cncc(-c2ccccc2)n1.Cc1nc(-c2ccc(Cl)cc2)cc(C(C)C)n1.
What is the InChIKey of 4-(4-chlorophenyl)-2-methyl-6-propan-2-ylpyrimidine;2-(3-chlorophenyl)-5-propan-2-ylpyrazine;2-(3-chlorophenyl)-6-propan-2-ylpyrazine;2-(4-chlorophenyl)-5-propan-2-ylpyrazine;2-(4-chlorophenyl)-6-propan-2-ylpyrazine;2-phenyl-6-propan-2-ylpyrazine;2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]pyrazine;2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]pyrazine?
The InChIKey is SAEQHXPCIUENLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2.2C14H13F3N2.4C13H13ClN2.C13H14N2/c1-9(2)13-8-14(17-10(3)16-13)11-4-6-12(15)7-5-11;1-9(2)12-7-18-8-13(19-12)10-3-5-11(6-4-10)14(15,16)17;1-9(2)12-7-18-8-13(19-12)10-4-3-5-11(6-10)14(15,16)17;1-9(2)12-7-16-13(8-15-12)10-3-5-11(14)6-4-10;1-9(2)12-7-15-8-13(16-12)10-3-5-11(14)6-4-10;1-9(2)12-7-16-13(8-15-12)10-4-3-5-11(14)6-10;1-9(2)12-7-15-8-13(16-12)10-4-3-5-11(14)6-10;1-10(2)12-8-14-9-13(15-12)11-6-4-3-5-7-11/h4-9H,1-3H3;2*3-9H,1-2H3;4*3-9H,1-2H3;3-10H,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-2-methyl-6-propan-2-ylpyrimidine;2-(3-chlorophenyl)-5-propan-2-ylpyrazine;2-(3-chlorophenyl)-6-propan-2-ylpyrazine;2-(4-chlorophenyl)-5-propan-2-ylpyrazine;2-(4-chlorophenyl)-6-propan-2-ylpyrazine;2-phenyl-6-propan-2-ylpyrazine;2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]pyrazine;2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]pyrazine?
4-(4-chlorophenyl)-2-methyl-6-propan-2-ylpyrimidine;2-(3-chlorophenyl)-5-propan-2-ylpyrazine;2-(3-chlorophenyl)-6-propan-2-ylpyrazine;2-(4-chlorophenyl)-5-propan-2-ylpyrazine;2-(4-chlorophenyl)-6-propan-2-ylpyrazine;2-phenyl-6-propan-2-ylpyrazine;2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]pyrazine;2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]pyrazine has a molecular weight of 1908.40 g/mol, XLogP of 31.75, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-methyl-6-propan-2-ylpyrimidine;2-(3-chlorophenyl)-5-propan-2-ylpyrazine;2-(3-chlorophenyl)-6-propan-2-ylpyrazine;2-(4-chlorophenyl)-5-propan-2-ylpyrazine;2-(4-chlorophenyl)-6-propan-2-ylpyrazine;2-phenyl-6-propan-2-ylpyrazine;2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]pyrazine;2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]pyrazine is sourced from PubChem (CID 160777899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).