5-bromo-4-chloropyrimidin-2-amine;4-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C15H19BBrCl2N5O2 — CID 158193031

IUPAC5-bromo-4-chloropyrimidin-2-amine;4-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESCC1(C)OB(c2cnc(N)cc2Cl)OC1(C)C.Nc1ncc(Br)c(Cl)n1
InChIInChI=1S/C11H16BClN2O2.C4H3BrClN3/c1-10(2)11(3,4)17-12(16-10)7-6-15-9(14)5-8(7)13;5-2-1-8-4(7)9-3(2)6/h5-6H,1-4H3,(H2,14,15);1H,(H2,7,8,9)
InChIKeyFZZOYLHRXXCOKY-UHFFFAOYSA-N
MW462.97 g/mol
LogP3.09
Rot. Bonds1

About 5-bromo-4-chloropyrimidin-2-amine;4-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

5-bromo-4-chloropyrimidin-2-amine;4-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 158193031) has the molecular formula C15H19BBrCl2N5O2 and a molecular weight of 462.97 g/mol. Its IUPAC name is 5-bromo-4-chloropyrimidin-2-amine;4-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-4-chloropyrimidin-2-amine;4-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
PubChem CID158193031
Molecular FormulaC15H19BBrCl2N5O2
Molecular Weight462.97 g/mol
Exact Mass461.02
IUPAC Name5-bromo-4-chloropyrimidin-2-amine;4-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESCC1(C)OB(c2cnc(N)cc2Cl)OC1(C)C.Nc1ncc(Br)c(Cl)n1
InChIInChI=1S/C11H16BClN2O2.C4H3BrClN3/c1-10(2)11(3,4)17-12(16-10)7-6-15-9(14)5-8(7)13;5-2-1-8-4(7)9-3(2)6/h5-6H,1-4H3,(H2,14,15);1H,(H2,7,8,9)
InChIKeyFZZOYLHRXXCOKY-UHFFFAOYSA-N
XLogP3.09
TPSA109.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.97
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-Bromo-4-chloropyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 161194273
4-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 57416428
2,3-Dimethylbutan-2-yloxy-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]borinic acid
CID 123245799
N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine
CID 123324816
2-methyl-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)pyrimidin-4-amine
CID 123553291
2-cyclopropyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridyl]pyrimidin-4-amine
CID 123992583
N-[4-(4,5-dimethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-2-methylpyrimidin-4-amine
CID 123999926
4-Amino-2-(pyridin-2-yl)pyrimidine-5-boronic acid pinacol ester
CID 133555445
4-chloro-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 133627445
3-Pyrimidin-5-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 155744973
Pyrimidine;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine
CID 158809388
5-Bromopyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 159074433

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloropyrimidin-2-amine;4-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The IUPAC name of 5-bromo-4-chloropyrimidin-2-amine;4-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 158193031) is 5-bromo-4-chloropyrimidin-2-amine;4-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-4-chloropyrimidin-2-amine;4-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The canonical SMILES for 5-bromo-4-chloropyrimidin-2-amine;4-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is CC1(C)OB(c2cnc(N)cc2Cl)OC1(C)C.Nc1ncc(Br)c(Cl)n1.
What is the InChIKey of 5-bromo-4-chloropyrimidin-2-amine;4-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The InChIKey is FZZOYLHRXXCOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BClN2O2.C4H3BrClN3/c1-10(2)11(3,4)17-12(16-10)7-6-15-9(14)5-8(7)13;5-2-1-8-4(7)9-3(2)6/h5-6H,1-4H3,(H2,14,15);1H,(H2,7,8,9).
What are the key properties of 5-bromo-4-chloropyrimidin-2-amine;4-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
5-bromo-4-chloropyrimidin-2-amine;4-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 462.97 g/mol, XLogP of 3.09, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloropyrimidin-2-amine;4-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 158193031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).