8-methoxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one

C13H15N3O2 — CID 115054719

IUPAC8-methoxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccn2c(=O)cc(C3CCNC3)nc2c1
InChIInChI=1S/C13H15N3O2/c1-18-10-3-5-16-12(6-10)15-11(7-13(16)17)9-2-4-14-8-9/h3,5-7,9,14H,2,4,8H2,1H3
InChIKeyNUKHRCGPYPZRJR-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.78
Rot. Bonds2

About 8-methoxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one

8-methoxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 115054719) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 8-methoxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-methoxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID115054719
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name8-methoxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccn2c(=O)cc(C3CCNC3)nc2c1
InChIInChI=1S/C13H15N3O2/c1-18-10-3-5-16-12(6-10)15-11(7-13(16)17)9-2-4-14-8-9/h3,5-7,9,14H,2,4,8H2,1H3
InChIKeyNUKHRCGPYPZRJR-UHFFFAOYSA-N
XLogP0.78
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-methoxy-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054699
8-fluoro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 115054721
9-hydroxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115038189
6-methoxy-2-pyrrolidin-3-ylimidazo[1,2-a]pyridine
CID 105471156
7-methyl-2-piperidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115054664
2-morpholin-2-yl-8-phenoxypyrido[1,2-a]pyrimidin-4-one
CID 22263564
2-(3,4-dimethoxyphenyl)-8-methoxypyrido[1,2-a]pyrimidin-4-one
CID 146523465
6-bromo-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115053152
8-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054694
7-methoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 105432579
3-(azepan-3-yl)-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254101
7-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 115039709

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-methoxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one (CID 115054719) is 8-methoxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-methoxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-methoxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one is COc1ccn2c(=O)cc(C3CCNC3)nc2c1.
What is the InChIKey of 8-methoxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NUKHRCGPYPZRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-18-10-3-5-16-12(6-10)15-11(7-13(16)17)9-2-4-14-8-9/h3,5-7,9,14H,2,4,8H2,1H3.
What are the key properties of 8-methoxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one?
8-methoxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 245.28 g/mol, XLogP of 0.78, 2 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-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115054719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).