9-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one

C15H19N3O — CID 115054776

IUPAC9-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CCC3CCNC3)nc12
InChIInChI=1S/C15H19N3O/c1-11-3-2-8-18-14(19)9-13(17-15(11)18)5-4-12-6-7-16-10-12/h2-3,8-9,12,16H,4-7,10H2,1H3
InChIKeyCKYPRPJGIDNMAC-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.55
Rot. Bonds3

About 9-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one

9-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 115054776) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 9-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID115054776
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name9-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CCC3CCNC3)nc12
InChIInChI=1S/C15H19N3O/c1-11-3-2-8-18-14(19)9-13(17-15(11)18)5-4-12-6-7-16-10-12/h2-3,8-9,12,16H,4-7,10H2,1H3
InChIKeyCKYPRPJGIDNMAC-UHFFFAOYSA-N
XLogP1.55
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054678
2-(2-aminoethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 115022990
2-(pyrrolidin-3-ylmethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115053369
9-methyl-2-[(2-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119916529
9-hydroxy-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054753
9-methyl-2-[[piperidin-4-yl(propyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 119933028
2-methyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054457
3-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054563
9-chloro-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054752
6-methoxy-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054631
8-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054694
2-[(3,5-dimethylpiperazin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119924132

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one (CID 115054776) is 9-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)cc(CCC3CCNC3)nc12.
What is the InChIKey of 9-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CKYPRPJGIDNMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-3-2-8-18-14(19)9-13(17-15(11)18)5-4-12-6-7-16-10-12/h2-3,8-9,12,16H,4-7,10H2,1H3.
What are the key properties of 9-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
9-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 257.34 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115054776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).