8-bromo-3-methyl-2-[[methyl-[(2S)-5-oxopyrrolidin-2-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C15H17BrN4O2 — CID 156822458

IUPAC8-bromo-3-methyl-2-[[methyl-[(2S)-5-oxopyrrolidin-2-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(CN(C)[C@H]2CCC(=O)N2)nc2cc(Br)ccn2c1=O
InChIInChI=1S/C15H17BrN4O2/c1-9-11(8-19(2)12-3-4-14(21)18-12)17-13-7-10(16)5-6-20(13)15(9)22/h5-7,12H,3-4,8H2,1-2H3,(H,18,21)/t12-/m0/s1
InChIKeyCTSWLGKYXSRSLA-LBPRGKRZSA-N
MW365.23 g/mol
LogP1.43
Rot. Bonds3

About 8-bromo-3-methyl-2-[[methyl-[(2S)-5-oxopyrrolidin-2-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

8-bromo-3-methyl-2-[[methyl-[(2S)-5-oxopyrrolidin-2-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 156822458) has the molecular formula C15H17BrN4O2 and a molecular weight of 365.23 g/mol. Its IUPAC name is 8-bromo-3-methyl-2-[[methyl-[(2S)-5-oxopyrrolidin-2-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-bromo-3-methyl-2-[[methyl-[(2S)-5-oxopyrrolidin-2-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID156822458
Molecular FormulaC15H17BrN4O2
Molecular Weight365.23 g/mol
Exact Mass364.05
IUPAC Name8-bromo-3-methyl-2-[[methyl-[(2S)-5-oxopyrrolidin-2-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(CN(C)[C@H]2CCC(=O)N2)nc2cc(Br)ccn2c1=O
InChIInChI=1S/C15H17BrN4O2/c1-9-11(8-19(2)12-3-4-14(21)18-12)17-13-7-10(16)5-6-20(13)15(9)22/h5-7,12H,3-4,8H2,1-2H3,(H,18,21)/t12-/m0/s1
InChIKeyCTSWLGKYXSRSLA-LBPRGKRZSA-N
XLogP1.43
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-methyl-2-[[methyl-[(2S)-5-oxopyrrolidin-2-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-bromo-3-methyl-2-[[methyl-[(2S)-5-oxopyrrolidin-2-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 156822458) is 8-bromo-3-methyl-2-[[methyl-[(2S)-5-oxopyrrolidin-2-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-bromo-3-methyl-2-[[methyl-[(2S)-5-oxopyrrolidin-2-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-bromo-3-methyl-2-[[methyl-[(2S)-5-oxopyrrolidin-2-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1c(CN(C)[C@H]2CCC(=O)N2)nc2cc(Br)ccn2c1=O.
What is the InChIKey of 8-bromo-3-methyl-2-[[methyl-[(2S)-5-oxopyrrolidin-2-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CTSWLGKYXSRSLA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17BrN4O2/c1-9-11(8-19(2)12-3-4-14(21)18-12)17-13-7-10(16)5-6-20(13)15(9)22/h5-7,12H,3-4,8H2,1-2H3,(H,18,21)/t12-/m0/s1.
What are the key properties of 8-bromo-3-methyl-2-[[methyl-[(2S)-5-oxopyrrolidin-2-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
8-bromo-3-methyl-2-[[methyl-[(2S)-5-oxopyrrolidin-2-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 365.23 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-methyl-2-[[methyl-[(2S)-5-oxopyrrolidin-2-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 156822458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).