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7-bromo-2-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

C14H15BrN4O2 — CID 156822287

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC7-bromo-2-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C1CC[C@@H](CNCc2cc(=O)n3cc(Br)ccc3n2)N1
InChIInChI=1S/C14H15BrN4O2/c15-9-1-3-12-17-11(5-14(21)19(12)8-9)7-16-6-10-2-4-13(20)18-10/h1,3,5,8,10,16H,2,4,6-7H2,(H,18,20)/t10-/m0/s1
InChIKeyXLFKSZUYSWHHEY-JTQLQIEISA-N
MW351.20 g/mol
LogP0.83
Rot. Bonds4

About 7-bromo-2-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

7-bromo-2-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 156822287) has the molecular formula C14H15BrN4O2 and a molecular weight of 351.20 g/mol. Its IUPAC name is 7-bromo-2-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-2-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID156822287
Molecular FormulaC14H15BrN4O2
Molecular Weight351.20 g/mol
Exact Mass350.04
IUPAC Name7-bromo-2-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C1CC[C@@H](CNCc2cc(=O)n3cc(Br)ccc3n2)N1
InChIInChI=1S/C14H15BrN4O2/c15-9-1-3-12-17-11(5-14(21)19(12)8-9)7-16-6-10-2-4-13(20)18-10/h1,3,5,8,10,16H,2,4,6-7H2,(H,18,20)/t10-/m0/s1
InChIKeyXLFKSZUYSWHHEY-JTQLQIEISA-N
XLogP0.83
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-2-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 156822287) is 7-bromo-2-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-2-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-2-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is O=C1CC[C@@H](CNCc2cc(=O)n3cc(Br)ccc3n2)N1.
What is the InChIKey of 7-bromo-2-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XLFKSZUYSWHHEY-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15BrN4O2/c15-9-1-3-12-17-11(5-14(21)19(12)8-9)7-16-6-10-2-4-13(20)18-10/h1,3,5,8,10,16H,2,4,6-7H2,(H,18,20)/t10-/m0/s1.
What are the key properties of 7-bromo-2-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-bromo-2-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 351.20 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 156822287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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