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

C12H16N4O — CID 3078701

IUPAC6-methyl-2-piperidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one
SMILESCN1Cc2nc(N3CCCCC3)ncc2C1=O
InChIInChI=1S/C12H16N4O/c1-15-8-10-9(11(15)17)7-13-12(14-10)16-5-3-2-4-6-16/h7H,2-6,8H2,1H3
InChIKeyYMJJMENUYBRBET-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.05
Rot. Bonds1

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

6-methyl-2-piperidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one (PubChem CID 3078701) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 6-methyl-2-piperidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name6-methyl-2-piperidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one
PubChem CID3078701
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name6-methyl-2-piperidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one
SMILESCN1Cc2nc(N3CCCCC3)ncc2C1=O
InChIInChI=1S/C12H16N4O/c1-15-8-10-9(11(15)17)7-13-12(14-10)16-5-3-2-4-6-16/h7H,2-6,8H2,1H3
InChIKeyYMJJMENUYBRBET-UHFFFAOYSA-N
XLogP1.05
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-piperidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The IUPAC name of 6-methyl-2-piperidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one (CID 3078701) is 6-methyl-2-piperidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 6-methyl-2-piperidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 6-methyl-2-piperidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one is CN1Cc2nc(N3CCCCC3)ncc2C1=O.
What is the InChIKey of 6-methyl-2-piperidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The InChIKey is YMJJMENUYBRBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-15-8-10-9(11(15)17)7-13-12(14-10)16-5-3-2-4-6-16/h7H,2-6,8H2,1H3.
What are the key properties of 6-methyl-2-piperidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one?
6-methyl-2-piperidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one has a molecular weight of 232.29 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-piperidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 3078701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).