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

C15H19N3O — CID 115054678

IUPAC7-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CCC3CCNC3)cc(=O)n2c1
InChIInChI=1S/C15H19N3O/c1-11-2-5-14-17-13(8-15(19)18(14)10-11)4-3-12-6-7-16-9-12/h2,5,8,10,12,16H,3-4,6-7,9H2,1H3
InChIKeyAQPANTYEDKEVHO-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.55
Rot. Bonds3

About 7-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one

7-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 115054678) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 7-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID115054678
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name7-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CCC3CCNC3)cc(=O)n2c1
InChIInChI=1S/C15H19N3O/c1-11-2-5-14-17-13(8-15(19)18(14)10-11)4-3-12-6-7-16-9-12/h2,5,8,10,12,16H,3-4,6-7,9H2,1H3
InChIKeyAQPANTYEDKEVHO-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-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054645
2-methyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054457
9-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054776
7-chloro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054647
8-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054694
7-methyl-2-piperidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115054664
2-ethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054456
6-methoxy-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054631
2-[(4-aminopiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 43556457
7-fluoro-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054690
7-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 119923564
3-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054563

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one (CID 115054678) is 7-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(CCC3CCNC3)cc(=O)n2c1.
What is the InChIKey of 7-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is AQPANTYEDKEVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-2-5-14-17-13(8-15(19)18(14)10-11)4-3-12-6-7-16-9-12/h2,5,8,10,12,16H,3-4,6-7,9H2,1H3.
What are the key properties of 7-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
7-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 7-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115054678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).