2-(6-bromo-2-pyridinyl)pyrimidine;2-pyridazin-4-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-pyridazin-4-yl-1,3-thiazole

C32H21BrN12S2 — CID 157171729

IUPAC2-(6-bromo-2-pyridinyl)pyrimidine;2-pyridazin-4-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-pyridazin-4-yl-1,3-thiazole
SMILESBrc1cccc(-c2ncccn2)n1.c1cc(-c2nccs2)cnn1.c1cnc(-c2cccc(-c3cnc(-c4ccnnc4)s3)n2)nc1
InChIInChI=1S/C16H10N6S.C9H6BrN3.C7H5N3S/c1-3-12(22-13(4-1)15-17-6-2-7-18-15)14-10-19-16(23-14)11-5-8-20-21-9-11;10-8-4-1-3-7(13-8)9-11-5-2-6-12-9;1-2-9-10-5-6(1)7-8-3-4-11-7/h1-10H;1-6H;1-5H
InChIKeyANNUUCPXKOKWSV-UHFFFAOYSA-N
MW717.64 g/mol
LogP7.02
Rot. Bonds5

About 2-(6-bromo-2-pyridinyl)pyrimidine;2-pyridazin-4-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-pyridazin-4-yl-1,3-thiazole

2-(6-bromo-2-pyridinyl)pyrimidine;2-pyridazin-4-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-pyridazin-4-yl-1,3-thiazole (PubChem CID 157171729) has the molecular formula C32H21BrN12S2 and a molecular weight of 717.64 g/mol. Its IUPAC name is 2-(6-bromo-2-pyridinyl)pyrimidine;2-pyridazin-4-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-pyridazin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(6-bromo-2-pyridinyl)pyrimidine;2-pyridazin-4-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-pyridazin-4-yl-1,3-thiazole
PubChem CID157171729
Molecular FormulaC32H21BrN12S2
Molecular Weight717.64 g/mol
Exact Mass716.06
IUPAC Name2-(6-bromo-2-pyridinyl)pyrimidine;2-pyridazin-4-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-pyridazin-4-yl-1,3-thiazole
SMILESBrc1cccc(-c2ncccn2)n1.c1cc(-c2nccs2)cnn1.c1cnc(-c2cccc(-c3cnc(-c4ccnnc4)s3)n2)nc1
InChIInChI=1S/C16H10N6S.C9H6BrN3.C7H5N3S/c1-3-12(22-13(4-1)15-17-6-2-7-18-15)14-10-19-16(23-14)11-5-8-20-21-9-11;10-8-4-1-3-7(13-8)9-11-5-2-6-12-9;1-2-9-10-5-6(1)7-8-3-4-11-7/h1-10H;1-6H;1-5H
InChIKeyANNUUCPXKOKWSV-UHFFFAOYSA-N
XLogP7.02
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500717.64
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-(6-bromo-2-pyridinyl)pyrimidine;2-pyridazin-4-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-pyridazin-4-yl-1,3-thiazole with MolForge

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Related Compounds

5-(4-Pyridazin-3-ylpyrimidin-2-yl)-4-[2-[3-thiophen-2-yl-5-(1,3,5-triazin-2-yl)pyrazin-2-yl]-1,3-thiazol-4-yl]thiadiazole
CID 54304309
5-[2-(2,5-Dimethylpyrazol-3-yl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
CID 58416010
5-[2-(1,5-Dimethylpyrazol-3-yl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
CID 58416106
2-Pyridin-3-yl-5-[1-(pyrimidin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole
CID 58416173
7-[4-(3-Bromo-pyridin-2-yl)-thiazol-5-yl-methyl]-2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
CID 59759777
4-(3-Bromo-2-pyridinyl)-5-[(2-ethyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole
CID 59759779
2-{6-[2-(1-Methyl-1H-pyrazol-4-yl)-1,3-thiazol-5-yl]pyridin-2-yl}pyrimidine
CID 90120257
2-[4-(6-Pyrimidin-2-yl-2-pyridinyl)pyrazol-1-yl]-1,3-thiazole
CID 90120297
2-Pyridazin-4-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
CID 90120342
2-[3-[5-[4-[2-(4-Pyridin-2-yl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-2-yl]pyrimidin-2-yl]pyridazin-4-yl]-4-(1,3-thiazol-4-yl)-1,3-thiazole
CID 123502105
2-[1-Piperidin-1-yl-2-pyrazin-2-yl-2-pyridazin-3-yl-3-pyridin-2-yl-3-pyrimidin-2-yl-4-(1,3-thiazolidin-2-yl)piperidin-4-yl]-1,3-thiazole
CID 141123565
2-(3-Pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-ylpyrazol-1-yl)-1,3-thiazole
CID 142798341

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-pyridinyl)pyrimidine;2-pyridazin-4-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-pyridazin-4-yl-1,3-thiazole?
The IUPAC name of 2-(6-bromo-2-pyridinyl)pyrimidine;2-pyridazin-4-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-pyridazin-4-yl-1,3-thiazole (CID 157171729) is 2-(6-bromo-2-pyridinyl)pyrimidine;2-pyridazin-4-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-pyridazin-4-yl-1,3-thiazole.
What is the SMILES notation for 2-(6-bromo-2-pyridinyl)pyrimidine;2-pyridazin-4-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-pyridazin-4-yl-1,3-thiazole?
The canonical SMILES for 2-(6-bromo-2-pyridinyl)pyrimidine;2-pyridazin-4-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-pyridazin-4-yl-1,3-thiazole is Brc1cccc(-c2ncccn2)n1.c1cc(-c2nccs2)cnn1.c1cnc(-c2cccc(-c3cnc(-c4ccnnc4)s3)n2)nc1.
What is the InChIKey of 2-(6-bromo-2-pyridinyl)pyrimidine;2-pyridazin-4-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-pyridazin-4-yl-1,3-thiazole?
The InChIKey is ANNUUCPXKOKWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N6S.C9H6BrN3.C7H5N3S/c1-3-12(22-13(4-1)15-17-6-2-7-18-15)14-10-19-16(23-14)11-5-8-20-21-9-11;10-8-4-1-3-7(13-8)9-11-5-2-6-12-9;1-2-9-10-5-6(1)7-8-3-4-11-7/h1-10H;1-6H;1-5H.
What are the key properties of 2-(6-bromo-2-pyridinyl)pyrimidine;2-pyridazin-4-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-pyridazin-4-yl-1,3-thiazole?
2-(6-bromo-2-pyridinyl)pyrimidine;2-pyridazin-4-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-pyridazin-4-yl-1,3-thiazole has a molecular weight of 717.64 g/mol, XLogP of 7.02, 5 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-pyridinyl)pyrimidine;2-pyridazin-4-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-pyridazin-4-yl-1,3-thiazole is sourced from PubChem (CID 157171729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).