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

C16H24N4O — CID 56730201

IUPAC2-(3-methylpiperidin-1-yl)-6-(2-methylpropyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one
SMILESCC(C)CN1Cc2nc(N3CCCC(C)C3)ncc2C1=O
InChIInChI=1S/C16H24N4O/c1-11(2)8-20-10-14-13(15(20)21)7-17-16(18-14)19-6-4-5-12(3)9-19/h7,11-12H,4-6,8-10H2,1-3H3
InChIKeyUAQWMZDXPWLMAR-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.32
Rot. Bonds3

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

2-(3-methylpiperidin-1-yl)-6-(2-methylpropyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one (PubChem CID 56730201) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-6-(2-methylpropyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-6-(2-methylpropyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one
PubChem CID56730201
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-(3-methylpiperidin-1-yl)-6-(2-methylpropyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one
SMILESCC(C)CN1Cc2nc(N3CCCC(C)C3)ncc2C1=O
InChIInChI=1S/C16H24N4O/c1-11(2)8-20-10-14-13(15(20)21)7-17-16(18-14)19-6-4-5-12(3)9-19/h7,11-12H,4-6,8-10H2,1-3H3
InChIKeyUAQWMZDXPWLMAR-UHFFFAOYSA-N
XLogP2.32
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-6-(2-methylpropyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-6-(2-methylpropyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one (CID 56730201) is 2-(3-methylpiperidin-1-yl)-6-(2-methylpropyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-6-(2-methylpropyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-6-(2-methylpropyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one is CC(C)CN1Cc2nc(N3CCCC(C)C3)ncc2C1=O.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-6-(2-methylpropyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The InChIKey is UAQWMZDXPWLMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11(2)8-20-10-14-13(15(20)21)7-17-16(18-14)19-6-4-5-12(3)9-19/h7,11-12H,4-6,8-10H2,1-3H3.
What are the key properties of 2-(3-methylpiperidin-1-yl)-6-(2-methylpropyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one?
2-(3-methylpiperidin-1-yl)-6-(2-methylpropyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one has a molecular weight of 288.39 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-6-(2-methylpropyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 56730201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).