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

C12H16N4O — CID 3078695

IUPAC7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCN1C(=O)Cc2cnc(N3CCCCC3)nc21
InChIInChI=1S/C12H16N4O/c1-15-10(17)7-9-8-13-12(14-11(9)15)16-5-3-2-4-6-16/h8H,2-7H2,1H3
InChIKeyZTINDEQKWOBZEJ-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.99
Rot. Bonds1

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

7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 3078695) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID3078695
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCN1C(=O)Cc2cnc(N3CCCCC3)nc21
InChIInChI=1S/C12H16N4O/c1-15-10(17)7-9-8-13-12(14-11(9)15)16-5-3-2-4-6-16/h8H,2-7H2,1H3
InChIKeyZTINDEQKWOBZEJ-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 3078695) is 7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one is CN1C(=O)Cc2cnc(N3CCCCC3)nc21.
What is the InChIKey of 7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is ZTINDEQKWOBZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-15-10(17)7-9-8-13-12(14-11(9)15)16-5-3-2-4-6-16/h8H,2-7H2,1H3.
What are the key properties of 7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 232.29 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 3078695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).