4-chloro-6-(2-methylpyrimidin-5-yl)pyrimidine;4,6-dichloropyrimidine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

C24H26BCl3N8O2 — CID 158332741

About 4-chloro-6-(2-methylpyrimidin-5-yl)pyrimidine;4,6-dichloropyrimidine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

4-chloro-6-(2-methylpyrimidin-5-yl)pyrimidine;4,6-dichloropyrimidine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine (PubChem CID 158332741) has the molecular formula C24H26BCl3N8O2 and a molecular weight of 575.70 g/mol. Its IUPAC name is 4-chloro-6-(2-methylpyrimidin-5-yl)pyrimidine;4,6-dichloropyrimidine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine.

Molecular Properties

• Compound Name: 4-chloro-6-(2-methylpyrimidin-5-yl)pyrimidine;4,6-dichloropyrimidine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
• PubChem CID: 158332741
• Molecular Formula: C24H26BCl3N8O2
• Molecular Weight: 575.70 g/mol
• Exact Mass: 574.13
• IUPAC Name: 4-chloro-6-(2-methylpyrimidin-5-yl)pyrimidine;4,6-dichloropyrimidine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
• SMILES: Cc1ncc(-c2cc(Cl)ncn2)cn1.Cc1ncc(B2OC(C)(C)C(C)(C)O2)cn1.Clc1cc(Cl)ncn1
• InChI: InChI=1S/C11H17BN2O2.C9H7ClN4.C4H2Cl2N2/c1-8-13-6-9(7-14-8)12-15-10(2,3)11(4,5)16-12;1-6-11-3-7(4-12-6)8-2-9(10)14-5-13-8;5-3-1-4(6)8-2-7-3/h6-7H,1-5H3;2-5H,1H3;1-2H
• InChIKey: GQEZTAMXJKMKCO-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 121.58 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 2
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.70
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-methylpyrimidin-5-yl)pyrimidine;4,6-dichloropyrimidine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?

The IUPAC name of 4-chloro-6-(2-methylpyrimidin-5-yl)pyrimidine;4,6-dichloropyrimidine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine (CID 158332741) is 4-chloro-6-(2-methylpyrimidin-5-yl)pyrimidine;4,6-dichloropyrimidine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine.

What is the SMILES notation for 4-chloro-6-(2-methylpyrimidin-5-yl)pyrimidine;4,6-dichloropyrimidine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?

The canonical SMILES for 4-chloro-6-(2-methylpyrimidin-5-yl)pyrimidine;4,6-dichloropyrimidine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine is Cc1ncc(-c2cc(Cl)ncn2)cn1.Cc1ncc(B2OC(C)(C)C(C)(C)O2)cn1.Clc1cc(Cl)ncn1.

What is the InChIKey of 4-chloro-6-(2-methylpyrimidin-5-yl)pyrimidine;4,6-dichloropyrimidine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?

The InChIKey is GQEZTAMXJKMKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BN2O2.C9H7ClN4.C4H2Cl2N2/c1-8-13-6-9(7-14-8)12-15-10(2,3)11(4,5)16-12;1-6-11-3-7(4-12-6)8-2-9(10)14-5-13-8;5-3-1-4(6)8-2-7-3/h6-7H,1-5H3;2-5H,1H3;1-2H.

What are the key properties of 4-chloro-6-(2-methylpyrimidin-5-yl)pyrimidine;4,6-dichloropyrimidine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?

4-chloro-6-(2-methylpyrimidin-5-yl)pyrimidine;4,6-dichloropyrimidine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine has a molecular weight of 575.70 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-6-(2-methylpyrimidin-5-yl)pyrimidine;4,6-dichloropyrimidine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine is sourced from PubChem (CID 158332741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).