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

C10H13N3O2 — CID 136941351

IUPAC2-(oxolan-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CCCO2)nc2c1CNC2
InChIInChI=1S/C10H13N3O2/c14-10-6-4-11-5-7(6)12-9(13-10)8-2-1-3-15-8/h8,11H,1-5H2,(H,12,13,14)
InChIKeyPFVQOAFYHQGSLN-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.22
Rot. Bonds1

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

2-(oxolan-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 136941351) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(oxolan-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID136941351
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-(oxolan-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CCCO2)nc2c1CNC2
InChIInChI=1S/C10H13N3O2/c14-10-6-4-11-5-7(6)12-9(13-10)8-2-1-3-15-8/h8,11H,1-5H2,(H,12,13,14)
InChIKeyPFVQOAFYHQGSLN-UHFFFAOYSA-N
XLogP0.22
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 104189996
4-(aminomethyl)-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 136274196
4-(methylaminomethyl)-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 136274197
4-(ethylaminomethyl)-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 136274198
2-(oxolan-2-yl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136274199
4-[(tert-butylamino)methyl]-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 136274202
4-[(2-methylpropylamino)methyl]-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 136274203
4-[(2-methoxyethylamino)methyl]-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 136274204
4,5-dimethyl-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 136274226
5-(aminomethyl)-4-methyl-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 136314598
2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 136663309
2,4-dimethyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 136911219

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(oxolan-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (CID 136941351) is 2-(oxolan-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(oxolan-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(oxolan-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is O=c1[nH]c(C2CCCO2)nc2c1CNC2.
What is the InChIKey of 2-(oxolan-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is PFVQOAFYHQGSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-10-6-4-11-5-7(6)12-9(13-10)8-2-1-3-15-8/h8,11H,1-5H2,(H,12,13,14).
What are the key properties of 2-(oxolan-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
2-(oxolan-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 207.23 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136941351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).