2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

C15H19N3O2 — CID 103729356

IUPAC2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)cc(CN3CCC(C)(O)C3)nc2c1
InChIInChI=1S/C15H19N3O2/c1-11-3-5-18-13(7-11)16-12(8-14(18)19)9-17-6-4-15(2,20)10-17/h3,5,7-8,20H,4,6,9-10H2,1-2H3
InChIKeyPOQZALWILVGQBV-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.96
Rot. Bonds2

About 2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 103729356) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID103729356
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)cc(CN3CCC(C)(O)C3)nc2c1
InChIInChI=1S/C15H19N3O2/c1-11-3-5-18-13(7-11)16-12(8-14(18)19)9-17-6-4-15(2,20)10-17/h3,5,7-8,20H,4,6,9-10H2,1-2H3
InChIKeyPOQZALWILVGQBV-UHFFFAOYSA-N
XLogP0.96
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-[[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 97199455
2-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 107226148
8-methyl-2-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 104975286
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 60917102
8-methyl-2-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride
CID 154920478
5,5-dimethyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione
CID 47004334
7-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 115874148
2-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 120771966
(3aS,7aR)-2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 98322562
2-[(2,2-dimethylmorpholin-4-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 86984153
2-[(2,5-dimethylpiperazin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 64980823
8-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054694

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (CID 103729356) is 2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccn2c(=O)cc(CN3CCC(C)(O)C3)nc2c1.
What is the InChIKey of 2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is POQZALWILVGQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-3-5-18-13(7-11)16-12(8-14(18)19)9-17-6-4-15(2,20)10-17/h3,5,7-8,20H,4,6,9-10H2,1-2H3.
What are the key properties of 2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 273.34 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 103729356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).