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

C11H15N3O2 — CID 136941398

IUPAC2-(oxolan-3-ylmethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(CC2CCOC2)nc2c1CNC2
InChIInChI=1S/C11H15N3O2/c15-11-8-4-12-5-9(8)13-10(14-11)3-7-1-2-16-6-7/h7,12H,1-6H2,(H,13,14,15)
InChIKeyNUQOXPCQYWYALK-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.05
Rot. Bonds2

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

2-(oxolan-3-ylmethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 136941398) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(oxolan-3-ylmethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(oxolan-3-ylmethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID136941398
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-(oxolan-3-ylmethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(CC2CCOC2)nc2c1CNC2
InChIInChI=1S/C11H15N3O2/c15-11-8-4-12-5-9(8)13-10(14-11)3-7-1-2-16-6-7/h7,12H,1-6H2,(H,13,14,15)
InChIKeyNUQOXPCQYWYALK-UHFFFAOYSA-N
XLogP-0.05
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylmethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(oxolan-3-ylmethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (CID 136941398) is 2-(oxolan-3-ylmethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(oxolan-3-ylmethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(oxolan-3-ylmethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is O=c1[nH]c(CC2CCOC2)nc2c1CNC2.
What is the InChIKey of 2-(oxolan-3-ylmethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is NUQOXPCQYWYALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-11-8-4-12-5-9(8)13-10(14-11)3-7-1-2-16-6-7/h7,12H,1-6H2,(H,13,14,15).
What are the key properties of 2-(oxolan-3-ylmethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
2-(oxolan-3-ylmethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 221.26 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylmethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136941398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).