8-methoxy-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one

C14H17N3O2 — CID 115054699

IUPAC8-methoxy-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccn2c(=O)cc(CC3CCNC3)nc2c1
InChIInChI=1S/C14H17N3O2/c1-19-12-3-5-17-13(8-12)16-11(7-14(17)18)6-10-2-4-15-9-10/h3,5,7-8,10,15H,2,4,6,9H2,1H3
InChIKeyILRQOJCKYZLFPO-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.86
Rot. Bonds3

About 8-methoxy-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one

8-methoxy-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 115054699) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 8-methoxy-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-methoxy-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID115054699
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name8-methoxy-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccn2c(=O)cc(CC3CCNC3)nc2c1
InChIInChI=1S/C14H17N3O2/c1-19-12-3-5-17-13(8-12)16-11(7-14(17)18)6-10-2-4-15-9-10/h3,5,7-8,10,15H,2,4,6,9H2,1H3
InChIKeyILRQOJCKYZLFPO-UHFFFAOYSA-N
XLogP0.86
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054694
8-methoxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115054719
7-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054645
2-(piperidin-4-ylmethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054700
7-chloro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054647
5-methoxy-2-[[(3R)-pyrrolidin-3-yl]methyl]pyridine
CID 146288202
7-methoxy-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254202
7-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054678
6-methoxy-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054631
2-(pyrrolidin-3-ylmethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115053369
7-fluoro-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054690
6-methoxy-2-(piperidin-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117130028

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-methoxy-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (CID 115054699) is 8-methoxy-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-methoxy-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-methoxy-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is COc1ccn2c(=O)cc(CC3CCNC3)nc2c1.
What is the InChIKey of 8-methoxy-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ILRQOJCKYZLFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-19-12-3-5-17-13(8-12)16-11(7-14(17)18)6-10-2-4-15-9-10/h3,5,7-8,10,15H,2,4,6,9H2,1H3.
What are the key properties of 8-methoxy-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
8-methoxy-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 259.31 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115054699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).