3-bromo-5-methylpyridin-2-amine;9-bromo-7-methyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;methyl pyridine-4-carboxylate;1-morpholin-4-ylethanone;1-morpholin-4-yl-3-pyridin-4-ylpropane-1,3-dione

C45H49Br2N9O8 — CID 158473362

IUPAC3-bromo-5-methylpyridin-2-amine;9-bromo-7-methyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;methyl pyridine-4-carboxylate;1-morpholin-4-ylethanone;1-morpholin-4-yl-3-pyridin-4-ylpropane-1,3-dione
SMILESCC(=O)N1CCOCC1.COC(=O)c1ccncc1.Cc1cc(Br)c2nc(-c3ccncc3)cc(=O)n2c1.Cc1cnc(N)c(Br)c1.O=C(CC(=O)N1CCOCC1)c1ccncc1
InChIInChI=1S/C14H10BrN3O.C12H14N2O3.C7H7NO2.C6H7BrN2.C6H11NO2/c1-9-6-11(15)14-17-12(7-13(19)18(14)8-9)10-2-4-16-5-3-10;15-11(10-1-3-13-4-2-10)9-12(16)14-5-7-17-8-6-14;1-10-7(9)6-2-4-8-5-3-6;1-4-2-5(7)6(8)9-3-4;1-6(8)7-2-4-9-5-3-7/h2-8H,1H3;1-4H,5-9H2;2-5H,1H3;2-3H,1H3,(H2,8,9);2-5H2,1H3
InChIKeyHGPVVEFVAHRAHM-UHFFFAOYSA-N
MW1003.75 g/mol
LogP5.81
Rot. Bonds5

About 3-bromo-5-methylpyridin-2-amine;9-bromo-7-methyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;methyl pyridine-4-carboxylate;1-morpholin-4-ylethanone;1-morpholin-4-yl-3-pyridin-4-ylpropane-1,3-dione

3-bromo-5-methylpyridin-2-amine;9-bromo-7-methyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;methyl pyridine-4-carboxylate;1-morpholin-4-ylethanone;1-morpholin-4-yl-3-pyridin-4-ylpropane-1,3-dione (PubChem CID 158473362) has the molecular formula C45H49Br2N9O8 and a molecular weight of 1003.75 g/mol. Its IUPAC name is 3-bromo-5-methylpyridin-2-amine;9-bromo-7-methyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;methyl pyridine-4-carboxylate;1-morpholin-4-ylethanone;1-morpholin-4-yl-3-pyridin-4-ylpropane-1,3-dione.

Molecular Properties

Compound Name3-bromo-5-methylpyridin-2-amine;9-bromo-7-methyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;methyl pyridine-4-carboxylate;1-morpholin-4-ylethanone;1-morpholin-4-yl-3-pyridin-4-ylpropane-1,3-dione
PubChem CID158473362
Molecular FormulaC45H49Br2N9O8
Molecular Weight1003.75 g/mol
Exact Mass1001.21
IUPAC Name3-bromo-5-methylpyridin-2-amine;9-bromo-7-methyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;methyl pyridine-4-carboxylate;1-morpholin-4-ylethanone;1-morpholin-4-yl-3-pyridin-4-ylpropane-1,3-dione
SMILESCC(=O)N1CCOCC1.COC(=O)c1ccncc1.Cc1cc(Br)c2nc(-c3ccncc3)cc(=O)n2c1.Cc1cnc(N)c(Br)c1.O=C(CC(=O)N1CCOCC1)c1ccncc1
InChIInChI=1S/C14H10BrN3O.C12H14N2O3.C7H7NO2.C6H7BrN2.C6H11NO2/c1-9-6-11(15)14-17-12(7-13(19)18(14)8-9)10-2-4-16-5-3-10;15-11(10-1-3-13-4-2-10)9-12(16)14-5-7-17-8-6-14;1-10-7(9)6-2-4-8-5-3-6;1-4-2-5(7)6(8)9-3-4;1-6(8)7-2-4-9-5-3-7/h2-8H,1H3;1-4H,5-9H2;2-5H,1H3;2-3H,1H3,(H2,8,9);2-5H2,1H3
InChIKeyHGPVVEFVAHRAHM-UHFFFAOYSA-N
XLogP5.81
TPSA214.40 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001003.75
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-bromo-5-methylpyridin-2-amine;9-bromo-7-methyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;methyl pyridine-4-carboxylate;1-morpholin-4-ylethanone;1-morpholin-4-yl-3-pyridin-4-ylpropane-1,3-dione with MolForge

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Launch Full Analysis

Related Compounds

2-amino-5-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;(E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid;tert-butyl (E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoate;hydrobromide
CID 158572491
2-amino-5-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;(E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid;2-amino-N-(2-morpholin-4-ylethyl)-5-[(E)-3-oxobut-1-enyl]pyridine-3-carboxamide;hydrobromide
CID 159602468
2-amino-5-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;(E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid;tert-butyl (E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoate;methane;hydrobromide
CID 160693032

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methylpyridin-2-amine;9-bromo-7-methyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;methyl pyridine-4-carboxylate;1-morpholin-4-ylethanone;1-morpholin-4-yl-3-pyridin-4-ylpropane-1,3-dione?
The IUPAC name of 3-bromo-5-methylpyridin-2-amine;9-bromo-7-methyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;methyl pyridine-4-carboxylate;1-morpholin-4-ylethanone;1-morpholin-4-yl-3-pyridin-4-ylpropane-1,3-dione (CID 158473362) is 3-bromo-5-methylpyridin-2-amine;9-bromo-7-methyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;methyl pyridine-4-carboxylate;1-morpholin-4-ylethanone;1-morpholin-4-yl-3-pyridin-4-ylpropane-1,3-dione.
What is the SMILES notation for 3-bromo-5-methylpyridin-2-amine;9-bromo-7-methyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;methyl pyridine-4-carboxylate;1-morpholin-4-ylethanone;1-morpholin-4-yl-3-pyridin-4-ylpropane-1,3-dione?
The canonical SMILES for 3-bromo-5-methylpyridin-2-amine;9-bromo-7-methyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;methyl pyridine-4-carboxylate;1-morpholin-4-ylethanone;1-morpholin-4-yl-3-pyridin-4-ylpropane-1,3-dione is CC(=O)N1CCOCC1.COC(=O)c1ccncc1.Cc1cc(Br)c2nc(-c3ccncc3)cc(=O)n2c1.Cc1cnc(N)c(Br)c1.O=C(CC(=O)N1CCOCC1)c1ccncc1.
What is the InChIKey of 3-bromo-5-methylpyridin-2-amine;9-bromo-7-methyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;methyl pyridine-4-carboxylate;1-morpholin-4-ylethanone;1-morpholin-4-yl-3-pyridin-4-ylpropane-1,3-dione?
The InChIKey is HGPVVEFVAHRAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O.C12H14N2O3.C7H7NO2.C6H7BrN2.C6H11NO2/c1-9-6-11(15)14-17-12(7-13(19)18(14)8-9)10-2-4-16-5-3-10;15-11(10-1-3-13-4-2-10)9-12(16)14-5-7-17-8-6-14;1-10-7(9)6-2-4-8-5-3-6;1-4-2-5(7)6(8)9-3-4;1-6(8)7-2-4-9-5-3-7/h2-8H,1H3;1-4H,5-9H2;2-5H,1H3;2-3H,1H3,(H2,8,9);2-5H2,1H3.
What are the key properties of 3-bromo-5-methylpyridin-2-amine;9-bromo-7-methyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;methyl pyridine-4-carboxylate;1-morpholin-4-ylethanone;1-morpholin-4-yl-3-pyridin-4-ylpropane-1,3-dione?
3-bromo-5-methylpyridin-2-amine;9-bromo-7-methyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;methyl pyridine-4-carboxylate;1-morpholin-4-ylethanone;1-morpholin-4-yl-3-pyridin-4-ylpropane-1,3-dione has a molecular weight of 1003.75 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methylpyridin-2-amine;9-bromo-7-methyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;methyl pyridine-4-carboxylate;1-morpholin-4-ylethanone;1-morpholin-4-yl-3-pyridin-4-ylpropane-1,3-dione is sourced from PubChem (CID 158473362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).