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

C19H22N4O2 — CID 71690424

IUPAC6-(4-ethylphenyl)-2-(4-hydroxypiperidin-1-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one
SMILESCCc1ccc(N2Cc3nc(N4CCC(O)CC4)ncc3C2=O)cc1
InChIInChI=1S/C19H22N4O2/c1-2-13-3-5-14(6-4-13)23-12-17-16(18(23)25)11-20-19(21-17)22-9-7-15(24)8-10-22/h3-6,11,15,24H,2,7-10,12H2,1H3
InChIKeyJLBJDFSRHZZILH-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.16
Rot. Bonds3

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

6-(4-ethylphenyl)-2-(4-hydroxypiperidin-1-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one (PubChem CID 71690424) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-2-(4-hydroxypiperidin-1-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name6-(4-ethylphenyl)-2-(4-hydroxypiperidin-1-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one
PubChem CID71690424
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name6-(4-ethylphenyl)-2-(4-hydroxypiperidin-1-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one
SMILESCCc1ccc(N2Cc3nc(N4CCC(O)CC4)ncc3C2=O)cc1
InChIInChI=1S/C19H22N4O2/c1-2-13-3-5-14(6-4-13)23-12-17-16(18(23)25)11-20-19(21-17)22-9-7-15(24)8-10-22/h3-6,11,15,24H,2,7-10,12H2,1H3
InChIKeyJLBJDFSRHZZILH-UHFFFAOYSA-N
XLogP2.16
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-2-(4-hydroxypiperidin-1-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The IUPAC name of 6-(4-ethylphenyl)-2-(4-hydroxypiperidin-1-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one (CID 71690424) is 6-(4-ethylphenyl)-2-(4-hydroxypiperidin-1-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 6-(4-ethylphenyl)-2-(4-hydroxypiperidin-1-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 6-(4-ethylphenyl)-2-(4-hydroxypiperidin-1-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one is CCc1ccc(N2Cc3nc(N4CCC(O)CC4)ncc3C2=O)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-2-(4-hydroxypiperidin-1-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The InChIKey is JLBJDFSRHZZILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-2-13-3-5-14(6-4-13)23-12-17-16(18(23)25)11-20-19(21-17)22-9-7-15(24)8-10-22/h3-6,11,15,24H,2,7-10,12H2,1H3.
What are the key properties of 6-(4-ethylphenyl)-2-(4-hydroxypiperidin-1-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one?
6-(4-ethylphenyl)-2-(4-hydroxypiperidin-1-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one has a molecular weight of 338.41 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-2-(4-hydroxypiperidin-1-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 71690424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).