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

C108H106Cl5F9N16 — CID 161440778

IUPAC2-(3-chlorophenyl)-5-propan-2-ylpyrimidine;2-(4-chlorophenyl)-4-propan-2-ylpyrimidine;4-(3-chlorophenyl)-2-propan-2-ylpyrimidine;4-(4-chlorophenyl)-2-propan-2-ylpyrimidine;5-(3-chlorophenyl)-2-propan-2-ylpyrimidine;4-methyl-6-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pyrimidine;2-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrimidine;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESCC(C)c1ccnc(-c2ccc(Cl)cc2)n1.CC(C)c1cnc(-c2cccc(Cl)c2)nc1.CC(C)c1ncc(-c2cccc(Cl)c2)cn1.CC(C)c1nccc(-c2ccc(C(F)(F)F)cc2)n1.CC(C)c1nccc(-c2ccc(Cl)cc2)n1.CC(C)c1nccc(-c2cccc(C(F)(F)F)c2)n1.CC(C)c1nccc(-c2cccc(Cl)c2)n1.Cc1cc(C(C)C)nc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C15H15F3N2.2C14H13F3N2.5C13H13ClN2/c1-9(2)13-8-10(3)19-14(20-13)11-4-6-12(7-5-11)15(16,17)18;1-9(2)13-18-8-7-12(19-13)10-3-5-11(6-4-10)14(15,16)17;1-9(2)13-18-7-6-12(19-13)10-4-3-5-11(8-10)14(15,16)17;1-9(2)13-15-8-7-12(16-13)10-3-5-11(14)6-4-10;1-9(2)12-7-8-15-13(16-12)10-3-5-11(14)6-4-10;1-9(2)13-15-7-11(8-16-13)10-4-3-5-12(14)6-10;1-9(2)11-7-15-13(16-8-11)10-4-3-5-12(14)6-10;1-9(2)13-15-7-6-12(16-13)10-4-3-5-11(14)8-10/h4-9H,1-3H3;2*3-9H,1-2H3;5*3-9H,1-2H3
InChIKeyVZFYERAJNBSJOZ-UHFFFAOYSA-N
MW1976.39 g/mol
LogP32.77
Rot. Bonds16

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

2-(3-chlorophenyl)-5-propan-2-ylpyrimidine;2-(4-chlorophenyl)-4-propan-2-ylpyrimidine;4-(3-chlorophenyl)-2-propan-2-ylpyrimidine;4-(4-chlorophenyl)-2-propan-2-ylpyrimidine;5-(3-chlorophenyl)-2-propan-2-ylpyrimidine;4-methyl-6-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pyrimidine;2-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrimidine;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 161440778) has the molecular formula C108H106Cl5F9N16 and a molecular weight of 1976.39 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-propan-2-ylpyrimidine;2-(4-chlorophenyl)-4-propan-2-ylpyrimidine;4-(3-chlorophenyl)-2-propan-2-ylpyrimidine;4-(4-chlorophenyl)-2-propan-2-ylpyrimidine;5-(3-chlorophenyl)-2-propan-2-ylpyrimidine;4-methyl-6-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pyrimidine;2-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrimidine;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-propan-2-ylpyrimidine;2-(4-chlorophenyl)-4-propan-2-ylpyrimidine;4-(3-chlorophenyl)-2-propan-2-ylpyrimidine;4-(4-chlorophenyl)-2-propan-2-ylpyrimidine;5-(3-chlorophenyl)-2-propan-2-ylpyrimidine;4-methyl-6-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pyrimidine;2-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrimidine;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]pyrimidine
PubChem CID161440778
Molecular FormulaC108H106Cl5F9N16
Molecular Weight1976.39 g/mol
Exact Mass1972.71
IUPAC Name2-(3-chlorophenyl)-5-propan-2-ylpyrimidine;2-(4-chlorophenyl)-4-propan-2-ylpyrimidine;4-(3-chlorophenyl)-2-propan-2-ylpyrimidine;4-(4-chlorophenyl)-2-propan-2-ylpyrimidine;5-(3-chlorophenyl)-2-propan-2-ylpyrimidine;4-methyl-6-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pyrimidine;2-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrimidine;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESCC(C)c1ccnc(-c2ccc(Cl)cc2)n1.CC(C)c1cnc(-c2cccc(Cl)c2)nc1.CC(C)c1ncc(-c2cccc(Cl)c2)cn1.CC(C)c1nccc(-c2ccc(C(F)(F)F)cc2)n1.CC(C)c1nccc(-c2ccc(Cl)cc2)n1.CC(C)c1nccc(-c2cccc(C(F)(F)F)c2)n1.CC(C)c1nccc(-c2cccc(Cl)c2)n1.Cc1cc(C(C)C)nc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C15H15F3N2.2C14H13F3N2.5C13H13ClN2/c1-9(2)13-8-10(3)19-14(20-13)11-4-6-12(7-5-11)15(16,17)18;1-9(2)13-18-8-7-12(19-13)10-3-5-11(6-4-10)14(15,16)17;1-9(2)13-18-7-6-12(19-13)10-4-3-5-11(8-10)14(15,16)17;1-9(2)13-15-8-7-12(16-13)10-3-5-11(14)6-4-10;1-9(2)12-7-8-15-13(16-12)10-3-5-11(14)6-4-10;1-9(2)13-15-7-11(8-16-13)10-4-3-5-12(14)6-10;1-9(2)11-7-15-13(16-8-11)10-4-3-5-12(14)6-10;1-9(2)13-15-7-6-12(16-13)10-4-3-5-11(14)8-10/h4-9H,1-3H3;2*3-9H,1-2H3;5*3-9H,1-2H3
InChIKeyVZFYERAJNBSJOZ-UHFFFAOYSA-N
XLogP32.77
TPSA206.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001976.39
LogP ≤ 532.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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

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Related Compounds

4-[4-(4-Chloro-phenyl)-6-trifluoromethyl-pyrimidin-2-yl]-[2,4']bipyridinyl
CID 24760217
4-(4-Chloro-phenyl)-2-(3-pyridin-3-yl-phenyl)-6-trifluoromethyl-pyrimidine
CID 57468856
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
CID 58731988
CID 58731988
2-N,4-N-bis[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrimidine-2,4-diamine
CID 68260945
2-(5-Chloro-2-fluorophenyl)-4-[5-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-3-pyridinyl]-1,8-naphthyridine
CID 68264762
4-[4-(4-Chloro-phenyl)-6-trifluoromethyl-pyrimidin-2-yl]-[2,3]bipyridinyl
CID 68692507

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-propan-2-ylpyrimidine;2-(4-chlorophenyl)-4-propan-2-ylpyrimidine;4-(3-chlorophenyl)-2-propan-2-ylpyrimidine;4-(4-chlorophenyl)-2-propan-2-ylpyrimidine;5-(3-chlorophenyl)-2-propan-2-ylpyrimidine;4-methyl-6-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pyrimidine;2-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrimidine;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 2-(3-chlorophenyl)-5-propan-2-ylpyrimidine;2-(4-chlorophenyl)-4-propan-2-ylpyrimidine;4-(3-chlorophenyl)-2-propan-2-ylpyrimidine;4-(4-chlorophenyl)-2-propan-2-ylpyrimidine;5-(3-chlorophenyl)-2-propan-2-ylpyrimidine;4-methyl-6-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pyrimidine;2-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrimidine;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]pyrimidine (CID 161440778) is 2-(3-chlorophenyl)-5-propan-2-ylpyrimidine;2-(4-chlorophenyl)-4-propan-2-ylpyrimidine;4-(3-chlorophenyl)-2-propan-2-ylpyrimidine;4-(4-chlorophenyl)-2-propan-2-ylpyrimidine;5-(3-chlorophenyl)-2-propan-2-ylpyrimidine;4-methyl-6-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pyrimidine;2-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrimidine;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 2-(3-chlorophenyl)-5-propan-2-ylpyrimidine;2-(4-chlorophenyl)-4-propan-2-ylpyrimidine;4-(3-chlorophenyl)-2-propan-2-ylpyrimidine;4-(4-chlorophenyl)-2-propan-2-ylpyrimidine;5-(3-chlorophenyl)-2-propan-2-ylpyrimidine;4-methyl-6-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pyrimidine;2-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrimidine;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 2-(3-chlorophenyl)-5-propan-2-ylpyrimidine;2-(4-chlorophenyl)-4-propan-2-ylpyrimidine;4-(3-chlorophenyl)-2-propan-2-ylpyrimidine;4-(4-chlorophenyl)-2-propan-2-ylpyrimidine;5-(3-chlorophenyl)-2-propan-2-ylpyrimidine;4-methyl-6-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pyrimidine;2-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrimidine;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]pyrimidine is CC(C)c1ccnc(-c2ccc(Cl)cc2)n1.CC(C)c1cnc(-c2cccc(Cl)c2)nc1.CC(C)c1ncc(-c2cccc(Cl)c2)cn1.CC(C)c1nccc(-c2ccc(C(F)(F)F)cc2)n1.CC(C)c1nccc(-c2ccc(Cl)cc2)n1.CC(C)c1nccc(-c2cccc(C(F)(F)F)c2)n1.CC(C)c1nccc(-c2cccc(Cl)c2)n1.Cc1cc(C(C)C)nc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-(3-chlorophenyl)-5-propan-2-ylpyrimidine;2-(4-chlorophenyl)-4-propan-2-ylpyrimidine;4-(3-chlorophenyl)-2-propan-2-ylpyrimidine;4-(4-chlorophenyl)-2-propan-2-ylpyrimidine;5-(3-chlorophenyl)-2-propan-2-ylpyrimidine;4-methyl-6-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pyrimidine;2-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrimidine;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is VZFYERAJNBSJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2.2C14H13F3N2.5C13H13ClN2/c1-9(2)13-8-10(3)19-14(20-13)11-4-6-12(7-5-11)15(16,17)18;1-9(2)13-18-8-7-12(19-13)10-3-5-11(6-4-10)14(15,16)17;1-9(2)13-18-7-6-12(19-13)10-4-3-5-11(8-10)14(15,16)17;1-9(2)13-15-8-7-12(16-13)10-3-5-11(14)6-4-10;1-9(2)12-7-8-15-13(16-12)10-3-5-11(14)6-4-10;1-9(2)13-15-7-11(8-16-13)10-4-3-5-12(14)6-10;1-9(2)11-7-15-13(16-8-11)10-4-3-5-12(14)6-10;1-9(2)13-15-7-6-12(16-13)10-4-3-5-11(14)8-10/h4-9H,1-3H3;2*3-9H,1-2H3;5*3-9H,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-5-propan-2-ylpyrimidine;2-(4-chlorophenyl)-4-propan-2-ylpyrimidine;4-(3-chlorophenyl)-2-propan-2-ylpyrimidine;4-(4-chlorophenyl)-2-propan-2-ylpyrimidine;5-(3-chlorophenyl)-2-propan-2-ylpyrimidine;4-methyl-6-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pyrimidine;2-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrimidine;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]pyrimidine?
2-(3-chlorophenyl)-5-propan-2-ylpyrimidine;2-(4-chlorophenyl)-4-propan-2-ylpyrimidine;4-(3-chlorophenyl)-2-propan-2-ylpyrimidine;4-(4-chlorophenyl)-2-propan-2-ylpyrimidine;5-(3-chlorophenyl)-2-propan-2-ylpyrimidine;4-methyl-6-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pyrimidine;2-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrimidine;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 1976.39 g/mol, XLogP of 32.77, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-propan-2-ylpyrimidine;2-(4-chlorophenyl)-4-propan-2-ylpyrimidine;4-(3-chlorophenyl)-2-propan-2-ylpyrimidine;4-(4-chlorophenyl)-2-propan-2-ylpyrimidine;5-(3-chlorophenyl)-2-propan-2-ylpyrimidine;4-methyl-6-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pyrimidine;2-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrimidine;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 161440778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).