5-bromo-2-morpholin-4-ylpyridin-4-amine;2-morpholin-4-yl-5-pyrimidin-5-ylpyridin-4-amine;pyrimidin-5-ylboronic acid

C26H32BBrN10O4 — CID 158800785

IUPAC5-bromo-2-morpholin-4-ylpyridin-4-amine;2-morpholin-4-yl-5-pyrimidin-5-ylpyridin-4-amine;pyrimidin-5-ylboronic acid
SMILESNc1cc(N2CCOCC2)ncc1-c1cncnc1.Nc1cc(N2CCOCC2)ncc1Br.OB(O)c1cncnc1
InChIInChI=1S/C13H15N5O.C9H12BrN3O.C4H5BN2O2/c14-12-5-13(18-1-3-19-4-2-18)17-8-11(12)10-6-15-9-16-7-10;10-7-6-12-9(5-8(7)11)13-1-3-14-4-2-13;8-5(9)4-1-6-3-7-2-4/h5-9H,1-4H2,(H2,14,17);5-6H,1-4H2,(H2,11,12);1-3,8-9H
InChIKeyITLNAAUZHJZVGU-UHFFFAOYSA-N
MW639.32 g/mol
LogP0.38
Rot. Bonds4

About 5-bromo-2-morpholin-4-ylpyridin-4-amine;2-morpholin-4-yl-5-pyrimidin-5-ylpyridin-4-amine;pyrimidin-5-ylboronic acid

5-bromo-2-morpholin-4-ylpyridin-4-amine;2-morpholin-4-yl-5-pyrimidin-5-ylpyridin-4-amine;pyrimidin-5-ylboronic acid (PubChem CID 158800785) has the molecular formula C26H32BBrN10O4 and a molecular weight of 639.32 g/mol. Its IUPAC name is 5-bromo-2-morpholin-4-ylpyridin-4-amine;2-morpholin-4-yl-5-pyrimidin-5-ylpyridin-4-amine;pyrimidin-5-ylboronic acid.

Molecular Properties

Compound Name5-bromo-2-morpholin-4-ylpyridin-4-amine;2-morpholin-4-yl-5-pyrimidin-5-ylpyridin-4-amine;pyrimidin-5-ylboronic acid
PubChem CID158800785
Molecular FormulaC26H32BBrN10O4
Molecular Weight639.32 g/mol
Exact Mass638.19
IUPAC Name5-bromo-2-morpholin-4-ylpyridin-4-amine;2-morpholin-4-yl-5-pyrimidin-5-ylpyridin-4-amine;pyrimidin-5-ylboronic acid
SMILESNc1cc(N2CCOCC2)ncc1-c1cncnc1.Nc1cc(N2CCOCC2)ncc1Br.OB(O)c1cncnc1
InChIInChI=1S/C13H15N5O.C9H12BrN3O.C4H5BN2O2/c14-12-5-13(18-1-3-19-4-2-18)17-8-11(12)10-6-15-9-16-7-10;10-7-6-12-9(5-8(7)11)13-1-3-14-4-2-13;8-5(9)4-1-6-3-7-2-4/h5-9H,1-4H2,(H2,14,17);5-6H,1-4H2,(H2,11,12);1-3,8-9H
InChIKeyITLNAAUZHJZVGU-UHFFFAOYSA-N
XLogP0.38
TPSA194.78 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.32
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 5-bromo-2-morpholin-4-ylpyridin-4-amine;2-morpholin-4-yl-5-pyrimidin-5-ylpyridin-4-amine;pyrimidin-5-ylboronic acid with MolForge

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Launch Full Analysis

Related Compounds

(5-bromo-2-morpholin-4-yl-4-pyridinyl)methanol
CID 19437119
4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-2-methoxybenzonitrile
CID 66632477
[5-(3-morpholin-4-ylphenyl)-3-pyridinyl]boronic acid
CID 67451819
4-(2-pyrimidin-5-ylphenyl)morpholine
CID 68578973
4-[6-(6-pyrimidin-5-yl-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine
CID 159647573
5-(3-bromo-4-methoxyphenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
CID 67258367
8-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 121412657
6-methyl-2-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-4-amine
CID 117085161
7-(6-morpholin-4-yl-3-pyridinyl)-5-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-4-amine
CID 11014315
5-(3-bromophenyl)-7-(5-morpholin-4-ylpyrazin-2-yl)pyrido[2,3-d]pyrimidin-4-amine
CID 57317757
5-[(2-bromophenyl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
CID 10005239
(2-morpholin-4-yl-4-pyridinyl)oxyboronic acid
CID 142726722

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-morpholin-4-ylpyridin-4-amine;2-morpholin-4-yl-5-pyrimidin-5-ylpyridin-4-amine;pyrimidin-5-ylboronic acid?
The IUPAC name of 5-bromo-2-morpholin-4-ylpyridin-4-amine;2-morpholin-4-yl-5-pyrimidin-5-ylpyridin-4-amine;pyrimidin-5-ylboronic acid (CID 158800785) is 5-bromo-2-morpholin-4-ylpyridin-4-amine;2-morpholin-4-yl-5-pyrimidin-5-ylpyridin-4-amine;pyrimidin-5-ylboronic acid.
What is the SMILES notation for 5-bromo-2-morpholin-4-ylpyridin-4-amine;2-morpholin-4-yl-5-pyrimidin-5-ylpyridin-4-amine;pyrimidin-5-ylboronic acid?
The canonical SMILES for 5-bromo-2-morpholin-4-ylpyridin-4-amine;2-morpholin-4-yl-5-pyrimidin-5-ylpyridin-4-amine;pyrimidin-5-ylboronic acid is Nc1cc(N2CCOCC2)ncc1-c1cncnc1.Nc1cc(N2CCOCC2)ncc1Br.OB(O)c1cncnc1.
What is the InChIKey of 5-bromo-2-morpholin-4-ylpyridin-4-amine;2-morpholin-4-yl-5-pyrimidin-5-ylpyridin-4-amine;pyrimidin-5-ylboronic acid?
The InChIKey is ITLNAAUZHJZVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O.C9H12BrN3O.C4H5BN2O2/c14-12-5-13(18-1-3-19-4-2-18)17-8-11(12)10-6-15-9-16-7-10;10-7-6-12-9(5-8(7)11)13-1-3-14-4-2-13;8-5(9)4-1-6-3-7-2-4/h5-9H,1-4H2,(H2,14,17);5-6H,1-4H2,(H2,11,12);1-3,8-9H.
What are the key properties of 5-bromo-2-morpholin-4-ylpyridin-4-amine;2-morpholin-4-yl-5-pyrimidin-5-ylpyridin-4-amine;pyrimidin-5-ylboronic acid?
5-bromo-2-morpholin-4-ylpyridin-4-amine;2-morpholin-4-yl-5-pyrimidin-5-ylpyridin-4-amine;pyrimidin-5-ylboronic acid has a molecular weight of 639.32 g/mol, XLogP of 0.38, 4 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-morpholin-4-ylpyridin-4-amine;2-morpholin-4-yl-5-pyrimidin-5-ylpyridin-4-amine;pyrimidin-5-ylboronic acid is sourced from PubChem (CID 158800785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).