2-(2,6-dimethylpiperidin-1-yl)-4-(4-methoxyanilino)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;ethane

C24H37N5O2 — CID 144913313

IUPAC2-(2,6-dimethylpiperidin-1-yl)-4-(4-methoxyanilino)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;ethane
SMILESCC.CC.COc1ccc(Nc2nc(N3C(C)CCCC3C)nc3c2C(=O)NC3)cc1
InChIInChI=1S/C20H25N5O2.2C2H6/c1-12-5-4-6-13(2)25(12)20-23-16-11-21-19(26)17(16)18(24-20)22-14-7-9-15(27-3)10-8-14;2*1-2/h7-10,12-13H,4-6,11H2,1-3H3,(H,21,26)(H,22,23,24);2*1-2H3
InChIKeyZISXTXCWONDWCX-UHFFFAOYSA-N
MW427.59 g/mol
LogP5.29
Rot. Bonds4

About 2-(2,6-dimethylpiperidin-1-yl)-4-(4-methoxyanilino)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;ethane

2-(2,6-dimethylpiperidin-1-yl)-4-(4-methoxyanilino)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;ethane (PubChem CID 144913313) has the molecular formula C24H37N5O2 and a molecular weight of 427.59 g/mol. Its IUPAC name is 2-(2,6-dimethylpiperidin-1-yl)-4-(4-methoxyanilino)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;ethane.

Molecular Properties

Compound Name2-(2,6-dimethylpiperidin-1-yl)-4-(4-methoxyanilino)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;ethane
PubChem CID144913313
Molecular FormulaC24H37N5O2
Molecular Weight427.59 g/mol
Exact Mass427.29
IUPAC Name2-(2,6-dimethylpiperidin-1-yl)-4-(4-methoxyanilino)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;ethane
SMILESCC.CC.COc1ccc(Nc2nc(N3C(C)CCCC3C)nc3c2C(=O)NC3)cc1
InChIInChI=1S/C20H25N5O2.2C2H6/c1-12-5-4-6-13(2)25(12)20-23-16-11-21-19(26)17(16)18(24-20)22-14-7-9-15(27-3)10-8-14;2*1-2/h7-10,12-13H,4-6,11H2,1-3H3,(H,21,26)(H,22,23,24);2*1-2H3
InChIKeyZISXTXCWONDWCX-UHFFFAOYSA-N
XLogP5.29
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2,6-dimethylpiperidin-1-yl)-4-(4-methoxyanilino)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylpiperidin-1-yl)-4-(4-methoxyanilino)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;ethane?
The IUPAC name of 2-(2,6-dimethylpiperidin-1-yl)-4-(4-methoxyanilino)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;ethane (CID 144913313) is 2-(2,6-dimethylpiperidin-1-yl)-4-(4-methoxyanilino)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;ethane.
What is the SMILES notation for 2-(2,6-dimethylpiperidin-1-yl)-4-(4-methoxyanilino)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;ethane?
The canonical SMILES for 2-(2,6-dimethylpiperidin-1-yl)-4-(4-methoxyanilino)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;ethane is CC.CC.COc1ccc(Nc2nc(N3C(C)CCCC3C)nc3c2C(=O)NC3)cc1.
What is the InChIKey of 2-(2,6-dimethylpiperidin-1-yl)-4-(4-methoxyanilino)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;ethane?
The InChIKey is ZISXTXCWONDWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2.2C2H6/c1-12-5-4-6-13(2)25(12)20-23-16-11-21-19(26)17(16)18(24-20)22-14-7-9-15(27-3)10-8-14;2*1-2/h7-10,12-13H,4-6,11H2,1-3H3,(H,21,26)(H,22,23,24);2*1-2H3.
What are the key properties of 2-(2,6-dimethylpiperidin-1-yl)-4-(4-methoxyanilino)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;ethane?
2-(2,6-dimethylpiperidin-1-yl)-4-(4-methoxyanilino)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;ethane has a molecular weight of 427.59 g/mol, XLogP of 5.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylpiperidin-1-yl)-4-(4-methoxyanilino)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;ethane is sourced from PubChem (CID 144913313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).