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

C11H15N3O2 — CID 136941233

IUPAC2-(oxan-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CCCOC2)nc2c1CNC2
InChIInChI=1S/C11H15N3O2/c15-11-8-4-12-5-9(8)13-10(14-11)7-2-1-3-16-6-7/h7,12H,1-6H2,(H,13,14,15)
InChIKeyPWNWUEYUPWBKKN-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.27
Rot. Bonds1

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

2-(oxan-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 136941233) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(oxan-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(oxan-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID136941233
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-(oxan-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CCCOC2)nc2c1CNC2
InChIInChI=1S/C11H15N3O2/c15-11-8-4-12-5-9(8)13-10(14-11)7-2-1-3-16-6-7/h7,12H,1-6H2,(H,13,14,15)
InChIKeyPWNWUEYUPWBKKN-UHFFFAOYSA-N
XLogP0.27
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(oxan-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

4,5-dimethyl-2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 136067472
2,4-dimethyl-5-[1-(oxan-3-ylmethylamino)ethyl]-1H-pyrimidin-6-one
CID 136082020
4-(aminomethyl)-2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 136274255
4-(methylaminomethyl)-2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 136274256
4-(ethylaminomethyl)-2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 136274257
2-(oxan-3-yl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136274258
2-(oxan-3-yl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136274259
4-[(tert-butylamino)methyl]-2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 136274261
4-[(2-methylpropylamino)methyl]-2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 136274262
2-(Oxan-4-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941281
2-(Oxan-2-ylmethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941364
2-(Oxolan-2-ylmethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941372

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(oxan-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (CID 136941233) is 2-(oxan-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(oxan-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(oxan-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is O=c1[nH]c(C2CCCOC2)nc2c1CNC2.
What is the InChIKey of 2-(oxan-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is PWNWUEYUPWBKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-11-8-4-12-5-9(8)13-10(14-11)7-2-1-3-16-6-7/h7,12H,1-6H2,(H,13,14,15).
What are the key properties of 2-(oxan-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
2-(oxan-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 221.26 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136941233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).