6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one

C11H14N4O — CID 3078700

IUPAC6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one
SMILESCN1Cc2nc(N3CCCC3)ncc2C1=O
InChIInChI=1S/C11H14N4O/c1-14-7-9-8(10(14)16)6-12-11(13-9)15-4-2-3-5-15/h6H,2-5,7H2,1H3
InChIKeyFFNNWPRCYPVLOF-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.66
Rot. Bonds1

About 6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one

6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one (PubChem CID 3078700) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one
PubChem CID3078700
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one
SMILESCN1Cc2nc(N3CCCC3)ncc2C1=O
InChIInChI=1S/C11H14N4O/c1-14-7-9-8(10(14)16)6-12-11(13-9)15-4-2-3-5-15/h6H,2-5,7H2,1H3
InChIKeyFFNNWPRCYPVLOF-UHFFFAOYSA-N
XLogP0.66
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The IUPAC name of 6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one (CID 3078700) is 6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one is CN1Cc2nc(N3CCCC3)ncc2C1=O.
What is the InChIKey of 6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The InChIKey is FFNNWPRCYPVLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-14-7-9-8(10(14)16)6-12-11(13-9)15-4-2-3-5-15/h6H,2-5,7H2,1H3.
What are the key properties of 6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one?
6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one has a molecular weight of 218.26 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 3078700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).