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

C13H18N4O — CID 3078653

IUPAC7-methyl-2-(4-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1CCN(c2ncc3c(n2)N(C)C(=O)C3)CC1
InChIInChI=1S/C13H18N4O/c1-9-3-5-17(6-4-9)13-14-8-10-7-11(18)16(2)12(10)15-13/h8-9H,3-7H2,1-2H3
InChIKeyAGGYNCIBOQZOLI-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.23
Rot. Bonds1

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

7-methyl-2-(4-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 3078653) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 7-methyl-2-(4-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name7-methyl-2-(4-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID3078653
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name7-methyl-2-(4-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1CCN(c2ncc3c(n2)N(C)C(=O)C3)CC1
InChIInChI=1S/C13H18N4O/c1-9-3-5-17(6-4-9)13-14-8-10-7-11(18)16(2)12(10)15-13/h8-9H,3-7H2,1-2H3
InChIKeyAGGYNCIBOQZOLI-UHFFFAOYSA-N
XLogP1.23
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-methyl-2-(4-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(4-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 7-methyl-2-(4-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 3078653) is 7-methyl-2-(4-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 7-methyl-2-(4-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 7-methyl-2-(4-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is CC1CCN(c2ncc3c(n2)N(C)C(=O)C3)CC1.
What is the InChIKey of 7-methyl-2-(4-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is AGGYNCIBOQZOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-3-5-17(6-4-9)13-14-8-10-7-11(18)16(2)12(10)15-13/h8-9H,3-7H2,1-2H3.
What are the key properties of 7-methyl-2-(4-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
7-methyl-2-(4-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 246.31 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(4-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 3078653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).