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

C11H14N4O2 — CID 75537930

IUPAC2-(4-hydroxypiperidin-1-yl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
SMILESO=C1NCc2nc(N3CCC(O)CC3)ncc21
InChIInChI=1S/C11H14N4O2/c16-7-1-3-15(4-2-7)11-13-5-8-9(14-11)6-12-10(8)17/h5,7,16H,1-4,6H2,(H,12,17)
InChIKeyBTFBABHTKJKWED-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.32
Rot. Bonds1

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

2-(4-hydroxypiperidin-1-yl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one (PubChem CID 75537930) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
PubChem CID75537930
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name2-(4-hydroxypiperidin-1-yl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
SMILESO=C1NCc2nc(N3CCC(O)CC3)ncc21
InChIInChI=1S/C11H14N4O2/c16-7-1-3-15(4-2-7)11-13-5-8-9(14-11)6-12-10(8)17/h5,7,16H,1-4,6H2,(H,12,17)
InChIKeyBTFBABHTKJKWED-UHFFFAOYSA-N
XLogP-0.32
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-hydroxypiperidin-1-yl)-6-(4-methylphenyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one
CID 71690421
2-(4-hydroxypiperidin-1-yl)-6-[(1R)-1-phenylethyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one
CID 95756698
2-(4-hydroxypiperidin-1-yl)pyrimidine-5-carboxylic acid
CID 53415565
1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-ol
CID 58057790
1-[5-(hydroxymethyl)pyrimidin-2-yl]piperidin-4-ol
CID 53415334
1-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-ol
CID 95800063
5-(4-hydroxypiperidin-1-yl)-1H-pyrazin-2-one
CID 134506200
1-[5-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrimidin-2-yl]piperidin-4-ol
CID 167978285
2-(1-pyrimidin-2-ylpyrrolidin-2-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 110267702
2-[4-[(2-methyl-2,3-dihydro-1,3-benzothiazol-5-yl)methyl]piperazin-1-yl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 166989799
2-(2,6-difluorophenyl)-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118341365
(2-chloropyrimidin-5-yl)boronic acid;4-hydroxypiperidin-2-one;[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]boronic acid
CID 159797260

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one (CID 75537930) is 2-(4-hydroxypiperidin-1-yl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one is O=C1NCc2nc(N3CCC(O)CC3)ncc21.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The InChIKey is BTFBABHTKJKWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c16-7-1-3-15(4-2-7)11-13-5-8-9(14-11)6-12-10(8)17/h5,7,16H,1-4,6H2,(H,12,17).
What are the key properties of 2-(4-hydroxypiperidin-1-yl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
2-(4-hydroxypiperidin-1-yl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one has a molecular weight of 234.26 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 75537930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).