2-(1-ethoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one

C11H17N3O2 — CID 136941332

IUPAC2-(1-ethoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCCOC(CC)c1nc2c(c(=O)[nH]1)CNC2
InChIInChI=1S/C11H17N3O2/c1-3-9(16-4-2)10-13-8-6-12-5-7(8)11(15)14-10/h9,12H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyIHAPEINKMDZDRM-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.86
Rot. Bonds4

About 2-(1-ethoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one

2-(1-ethoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 136941332) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(1-ethoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-ethoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID136941332
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-(1-ethoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCCOC(CC)c1nc2c(c(=O)[nH]1)CNC2
InChIInChI=1S/C11H17N3O2/c1-3-9(16-4-2)10-13-8-6-12-5-7(8)11(15)14-10/h9,12H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyIHAPEINKMDZDRM-UHFFFAOYSA-N
XLogP0.86
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2S)-2-methoxybutanoyl]-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 137108613
2-(2,2,2-Trifluoroethoxymethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136890510
2-(2,2,3,3-Tetrafluoropropoxymethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136890511
2-(1-ethoxypropyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
CID 114206265
2-(1-ethoxyethyl)-4-(ethylaminomethyl)-1H-pyrimidin-6-one
CID 135995644
2-(1-ethoxyethyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 135995645
4-[(tert-butylamino)methyl]-2-(1-ethoxyethyl)-1H-pyrimidin-6-one
CID 135995649
2-(1-ethoxyethyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
CID 135995650
2-(1-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one
CID 135995651
2-(1-ethoxyethyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135995680
2-(1-ethoxyethyl)-4,5-dimethyl-1H-pyrimidin-6-one
CID 136276388
4,5-dimethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 136293460

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(1-ethoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (CID 136941332) is 2-(1-ethoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-ethoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-ethoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is CCOC(CC)c1nc2c(c(=O)[nH]1)CNC2.
What is the InChIKey of 2-(1-ethoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is IHAPEINKMDZDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-9(16-4-2)10-13-8-6-12-5-7(8)11(15)14-10/h9,12H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 2-(1-ethoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
2-(1-ethoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 223.28 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136941332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).