7-chloro-2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one

C13H15ClN4O — CID 43348666

IUPAC7-chloro-2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCNCC2)nc2ccc(Cl)cn12
InChIInChI=1S/C13H15ClN4O/c14-10-1-2-12-16-11(7-13(19)18(12)8-10)9-17-5-3-15-4-6-17/h1-2,7-8,15H,3-6,9H2
InChIKeyQLYRAZAVNQOLFQ-UHFFFAOYSA-N
MW278.74 g/mol
LogP0.75
Rot. Bonds2

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

7-chloro-2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 43348666) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 7-chloro-2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID43348666
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name7-chloro-2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCNCC2)nc2ccc(Cl)cn12
InChIInChI=1S/C13H15ClN4O/c14-10-1-2-12-16-11(7-13(19)18(12)8-10)9-17-5-3-15-4-6-17/h1-2,7-8,15H,3-6,9H2
InChIKeyQLYRAZAVNQOLFQ-UHFFFAOYSA-N
XLogP0.75
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (CID 43348666) is 7-chloro-2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CN2CCNCC2)nc2ccc(Cl)cn12.
What is the InChIKey of 7-chloro-2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QLYRAZAVNQOLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c14-10-1-2-12-16-11(7-13(19)18(12)8-10)9-17-5-3-15-4-6-17/h1-2,7-8,15H,3-6,9H2.
What are the key properties of 7-chloro-2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 278.74 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 43348666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).