5-(6-chloro-4-ethyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;cyclopropylboronic acid;5-(6-cyclopropyl-4-ethyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine

C30H30BClF6N6O2 — CID 160634035

IUPAC5-(6-chloro-4-ethyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;cyclopropylboronic acid;5-(6-cyclopropyl-4-ethyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine
SMILESCCc1cc(-c2cnc(C(F)(F)F)nc2)nc(C2CC2)c1.CCc1cc(Cl)nc(-c2cnc(C(F)(F)F)nc2)c1.OB(O)C1CC1
InChIInChI=1S/C15H14F3N3.C12H9ClF3N3.C3H7BO2/c1-2-9-5-12(10-3-4-10)21-13(6-9)11-7-19-14(20-8-11)15(16,17)18;1-2-7-3-9(19-10(13)4-7)8-5-17-11(18-6-8)12(14,15)16;5-4(6)3-1-2-3/h5-8,10H,2-4H2,1H3;3-6H,2H2,1H3;3,5-6H,1-2H2
InChIKeyRIHKHJQTKQBQOH-UHFFFAOYSA-N
MW666.86 g/mol
LogP7.39
Rot. Bonds6

About 5-(6-chloro-4-ethyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;cyclopropylboronic acid;5-(6-cyclopropyl-4-ethyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine

5-(6-chloro-4-ethyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;cyclopropylboronic acid;5-(6-cyclopropyl-4-ethyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine (PubChem CID 160634035) has the molecular formula C30H30BClF6N6O2 and a molecular weight of 666.86 g/mol. Its IUPAC name is 5-(6-chloro-4-ethyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;cyclopropylboronic acid;5-(6-cyclopropyl-4-ethyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-(6-chloro-4-ethyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;cyclopropylboronic acid;5-(6-cyclopropyl-4-ethyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine
PubChem CID160634035
Molecular FormulaC30H30BClF6N6O2
Molecular Weight666.86 g/mol
Exact Mass666.21
IUPAC Name5-(6-chloro-4-ethyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;cyclopropylboronic acid;5-(6-cyclopropyl-4-ethyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine
SMILESCCc1cc(-c2cnc(C(F)(F)F)nc2)nc(C2CC2)c1.CCc1cc(Cl)nc(-c2cnc(C(F)(F)F)nc2)c1.OB(O)C1CC1
InChIInChI=1S/C15H14F3N3.C12H9ClF3N3.C3H7BO2/c1-2-9-5-12(10-3-4-10)21-13(6-9)11-7-19-14(20-8-11)15(16,17)18;1-2-7-3-9(19-10(13)4-7)8-5-17-11(18-6-8)12(14,15)16;5-4(6)3-1-2-3/h5-8,10H,2-4H2,1H3;3-6H,2H2,1H3;3,5-6H,1-2H2
InChIKeyRIHKHJQTKQBQOH-UHFFFAOYSA-N
XLogP7.39
TPSA117.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.86
LogP ≤ 57.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-(6-chloro-4-ethyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;cyclopropylboronic acid;5-(6-cyclopropyl-4-ethyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(pyridin-2-yl)pyrimidine
CID 1483821
5-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-pyridinyl)pyrimidine
CID 1483822
4-(2-Chloro-4-fluorophenyl)-2-methyl-5-(2-pyridin-3-yl-4-pyridinyl)pyrimidine
CID 118726575
4-N-[2-(4-chlorophenyl)pyridin-4-yl]-6-[6-(trifluoromethyl)pyridin-2-yl]-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 117799131
5-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(pyridin-3-yl)pyrimidine
CID 1483825
[6-(5-Chloro-pyridin-2-yl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-yl]-[(R)-cyclopropyl-(6-trifluoromethyl-pyridin-3-yl)-methyl]-amine
CID 25033577
[6-(5-Chloro-pyridin-2-yl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-yl]-[(S)-cyclopropyl-(6-trifluoromethyl-pyridin-3-yl)-methyl]-amine
CID 25033578
4,5-Dipyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
CID 3434059
5-Pyrimidin-4-yl-2,4-bis[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
CID 4348217
2-Pyridin-2-yl-5-pyrimidin-4-yl-4-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
CID 4620764
5-Pyridin-4-yl-2,4-bis[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
CID 5051963
4-Chloro-5-(4-fluorophenyl)-2,6-bis-(4-pyridyl)-pyrimidine
CID 23000487

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-4-ethyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;cyclopropylboronic acid;5-(6-cyclopropyl-4-ethyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-(6-chloro-4-ethyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;cyclopropylboronic acid;5-(6-cyclopropyl-4-ethyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine (CID 160634035) is 5-(6-chloro-4-ethyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;cyclopropylboronic acid;5-(6-cyclopropyl-4-ethyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-(6-chloro-4-ethyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;cyclopropylboronic acid;5-(6-cyclopropyl-4-ethyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-(6-chloro-4-ethyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;cyclopropylboronic acid;5-(6-cyclopropyl-4-ethyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine is CCc1cc(-c2cnc(C(F)(F)F)nc2)nc(C2CC2)c1.CCc1cc(Cl)nc(-c2cnc(C(F)(F)F)nc2)c1.OB(O)C1CC1.
What is the InChIKey of 5-(6-chloro-4-ethyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;cyclopropylboronic acid;5-(6-cyclopropyl-4-ethyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is RIHKHJQTKQBQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3.C12H9ClF3N3.C3H7BO2/c1-2-9-5-12(10-3-4-10)21-13(6-9)11-7-19-14(20-8-11)15(16,17)18;1-2-7-3-9(19-10(13)4-7)8-5-17-11(18-6-8)12(14,15)16;5-4(6)3-1-2-3/h5-8,10H,2-4H2,1H3;3-6H,2H2,1H3;3,5-6H,1-2H2.
What are the key properties of 5-(6-chloro-4-ethyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;cyclopropylboronic acid;5-(6-cyclopropyl-4-ethyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine?
5-(6-chloro-4-ethyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;cyclopropylboronic acid;5-(6-cyclopropyl-4-ethyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 666.86 g/mol, XLogP of 7.39, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-4-ethyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;cyclopropylboronic acid;5-(6-cyclopropyl-4-ethyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 160634035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).