9-methyl-2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one

C14H18N4O — CID 43237158

IUPAC9-methyl-2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN3CCNCC3)nc12
InChIInChI=1S/C14H18N4O/c1-11-3-2-6-18-13(19)9-12(16-14(11)18)10-17-7-4-15-5-8-17/h2-3,6,9,15H,4-5,7-8,10H2,1H3
InChIKeyDRLOKYCHQVQXBM-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.41
Rot. Bonds2

About 9-methyl-2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one

9-methyl-2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 43237158) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 9-methyl-2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID43237158
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name9-methyl-2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN3CCNCC3)nc12
InChIInChI=1S/C14H18N4O/c1-11-3-2-6-18-13(19)9-12(16-14(11)18)10-17-7-4-15-5-8-17/h2-3,6,9,15H,4-5,7-8,10H2,1H3
InChIKeyDRLOKYCHQVQXBM-UHFFFAOYSA-N
XLogP0.41
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (CID 43237158) is 9-methyl-2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)cc(CN3CCNCC3)nc12.
What is the InChIKey of 9-methyl-2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DRLOKYCHQVQXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11-3-2-6-18-13(19)9-12(16-14(11)18)10-17-7-4-15-5-8-17/h2-3,6,9,15H,4-5,7-8,10H2,1H3.
What are the key properties of 9-methyl-2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
9-methyl-2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 258.32 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 43237158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).