2-(4-hydroxypiperidin-1-yl)-6-(4-methylphenyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one

C18H20N4O2 — CID 71690421

IUPAC2-(4-hydroxypiperidin-1-yl)-6-(4-methylphenyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one
SMILESCc1ccc(N2Cc3nc(N4CCC(O)CC4)ncc3C2=O)cc1
InChIInChI=1S/C18H20N4O2/c1-12-2-4-13(5-3-12)22-11-16-15(17(22)24)10-19-18(20-16)21-8-6-14(23)7-9-21/h2-5,10,14,23H,6-9,11H2,1H3
InChIKeyOEEIWDOLGMTKFZ-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.91
Rot. Bonds2

About 2-(4-hydroxypiperidin-1-yl)-6-(4-methylphenyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one

2-(4-hydroxypiperidin-1-yl)-6-(4-methylphenyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one (PubChem CID 71690421) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-6-(4-methylphenyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)-6-(4-methylphenyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one
PubChem CID71690421
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-(4-hydroxypiperidin-1-yl)-6-(4-methylphenyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one
SMILESCc1ccc(N2Cc3nc(N4CCC(O)CC4)ncc3C2=O)cc1
InChIInChI=1S/C18H20N4O2/c1-12-2-4-13(5-3-12)22-11-16-15(17(22)24)10-19-18(20-16)21-8-6-14(23)7-9-21/h2-5,10,14,23H,6-9,11H2,1H3
InChIKeyOEEIWDOLGMTKFZ-UHFFFAOYSA-N
XLogP1.91
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-methylbutylcarbamoyl)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 57510046
2-[(2R)-4-[4-(dimethylamino)benzoyl]-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 57869893
5-[4-(2,3-Dimethylphenyl)piperazine-1-carbonyl]-4-methyl-2-(pyrrolidin-1-yl)pyrimidine
CID 16028179
(3R)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxylic acid
CID 59511367
N-(3-Fluoro-4-methylphenyl)-4-methyl-2-(pyrrolidin-1-YL)pyrimidine-5-carboxamide
CID 16028208
5-[4-(2-Fluorophenyl)piperazine-1-carbonyl]-4-methyl-2-(pyrrolidin-1-YL)pyrimidine
CID 16028212
N-(4-ethylphenyl)-4-methyl-2-(1-pyrrolidinyl)-5-pyrimidinecarboxamide
CID 20959516
6-(2-methylphenyl)-2-(pyrrolidin-1-yl)pyrido[4,3-d]pyrimidin-5(6H)-one
CID 28483196
6-(3,4-dimethylphenyl)-2-(1-pyrrolidinyl)pyrido[4,3-d]pyrimidin-5(6H)-one
CID 28483208
6-(2,5-dimethylphenyl)-2-(pyrrolidin-1-yl)pyrido[4,3-d]pyrimidin-5(6H)-one
CID 28483220
6-(4-acetylphenyl)-2-(1-pyrrolidinyl)pyrido[4,3-d]pyrimidin-5(6H)-one
CID 30467471
3-(2,3-Dihydroindol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 40010252

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-6-(4-methylphenyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-6-(4-methylphenyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one (CID 71690421) is 2-(4-hydroxypiperidin-1-yl)-6-(4-methylphenyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-6-(4-methylphenyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-6-(4-methylphenyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one is Cc1ccc(N2Cc3nc(N4CCC(O)CC4)ncc3C2=O)cc1.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-6-(4-methylphenyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The InChIKey is OEEIWDOLGMTKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12-2-4-13(5-3-12)22-11-16-15(17(22)24)10-19-18(20-16)21-8-6-14(23)7-9-21/h2-5,10,14,23H,6-9,11H2,1H3.
What are the key properties of 2-(4-hydroxypiperidin-1-yl)-6-(4-methylphenyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one?
2-(4-hydroxypiperidin-1-yl)-6-(4-methylphenyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one has a molecular weight of 324.38 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)-6-(4-methylphenyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 71690421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).