7-bromo-2-(pyrrolidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one

C13H14BrN3O — CID 8901475

IUPAC7-bromo-2-(pyrrolidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCCC2)nc2ccc(Br)cn12
InChIInChI=1S/C13H14BrN3O/c14-10-3-4-12-15-11(7-13(18)17(12)8-10)9-16-5-1-2-6-16/h3-4,7-8H,1-2,5-6,9H2
InChIKeyUJJOYWLUBLNFPG-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.05
Rot. Bonds2

About 7-bromo-2-(pyrrolidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one

7-bromo-2-(pyrrolidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 8901475) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 7-bromo-2-(pyrrolidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-2-(pyrrolidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID8901475
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name7-bromo-2-(pyrrolidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCCC2)nc2ccc(Br)cn12
InChIInChI=1S/C13H14BrN3O/c14-10-3-4-12-15-11(7-13(18)17(12)8-10)9-16-5-1-2-6-16/h3-4,7-8H,1-2,5-6,9H2
InChIKeyUJJOYWLUBLNFPG-UHFFFAOYSA-N
XLogP2.05
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(pyrrolidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-2-(pyrrolidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (CID 8901475) is 7-bromo-2-(pyrrolidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-2-(pyrrolidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-2-(pyrrolidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CN2CCCC2)nc2ccc(Br)cn12.
What is the InChIKey of 7-bromo-2-(pyrrolidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is UJJOYWLUBLNFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c14-10-3-4-12-15-11(7-13(18)17(12)8-10)9-16-5-1-2-6-16/h3-4,7-8H,1-2,5-6,9H2.
What are the key properties of 7-bromo-2-(pyrrolidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
7-bromo-2-(pyrrolidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 308.18 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(pyrrolidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 8901475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).