7-bromo-9-methyl-2-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

C15H17BrN4O2 — CID 156822579

IUPAC7-bromo-9-methyl-2-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(Br)cn2c(=O)cc(CNC[C@@H]3CCC(=O)N3)nc12
InChIInChI=1S/C15H17BrN4O2/c1-9-4-10(16)8-20-14(22)5-12(19-15(9)20)7-17-6-11-2-3-13(21)18-11/h4-5,8,11,17H,2-3,6-7H2,1H3,(H,18,21)/t11-/m0/s1
InChIKeyTXUOCKIWVWVNRC-NSHDSACASA-N
MW365.23 g/mol
LogP1.13
Rot. Bonds4

About 7-bromo-9-methyl-2-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

7-bromo-9-methyl-2-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 156822579) has the molecular formula C15H17BrN4O2 and a molecular weight of 365.23 g/mol. Its IUPAC name is 7-bromo-9-methyl-2-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-9-methyl-2-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID156822579
Molecular FormulaC15H17BrN4O2
Molecular Weight365.23 g/mol
Exact Mass364.05
IUPAC Name7-bromo-9-methyl-2-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(Br)cn2c(=O)cc(CNC[C@@H]3CCC(=O)N3)nc12
InChIInChI=1S/C15H17BrN4O2/c1-9-4-10(16)8-20-14(22)5-12(19-15(9)20)7-17-6-11-2-3-13(21)18-11/h4-5,8,11,17H,2-3,6-7H2,1H3,(H,18,21)/t11-/m0/s1
InChIKeyTXUOCKIWVWVNRC-NSHDSACASA-N
XLogP1.13
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-9-methyl-2-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-9-methyl-2-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 156822579) is 7-bromo-9-methyl-2-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-9-methyl-2-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-9-methyl-2-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cc(Br)cn2c(=O)cc(CNC[C@@H]3CCC(=O)N3)nc12.
What is the InChIKey of 7-bromo-9-methyl-2-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is TXUOCKIWVWVNRC-NSHDSACASA-N. The full InChI is InChI=1S/C15H17BrN4O2/c1-9-4-10(16)8-20-14(22)5-12(19-15(9)20)7-17-6-11-2-3-13(21)18-11/h4-5,8,11,17H,2-3,6-7H2,1H3,(H,18,21)/t11-/m0/s1.
What are the key properties of 7-bromo-9-methyl-2-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-bromo-9-methyl-2-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 365.23 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-9-methyl-2-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 156822579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).