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

C14H20N4O — CID 24988083

IUPAC7-ethyl-4-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCCN1C(=O)Cc2c(C)nc(N3CCCCC3)nc21
InChIInChI=1S/C14H20N4O/c1-3-18-12(19)9-11-10(2)15-14(16-13(11)18)17-7-5-4-6-8-17/h3-9H2,1-2H3
InChIKeyGTIKQCDURRGELV-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.68
Rot. Bonds2

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

7-ethyl-4-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 24988083) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 7-ethyl-4-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name7-ethyl-4-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID24988083
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name7-ethyl-4-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCCN1C(=O)Cc2c(C)nc(N3CCCCC3)nc21
InChIInChI=1S/C14H20N4O/c1-3-18-12(19)9-11-10(2)15-14(16-13(11)18)17-7-5-4-6-8-17/h3-9H2,1-2H3
InChIKeyGTIKQCDURRGELV-UHFFFAOYSA-N
XLogP1.68
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-ethyl-4-methyl-2-piperidin-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-ethyl-4-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 7-ethyl-4-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 24988083) is 7-ethyl-4-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 7-ethyl-4-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 7-ethyl-4-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one is CCN1C(=O)Cc2c(C)nc(N3CCCCC3)nc21.
What is the InChIKey of 7-ethyl-4-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is GTIKQCDURRGELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-18-12(19)9-11-10(2)15-14(16-13(11)18)17-7-5-4-6-8-17/h3-9H2,1-2H3.
What are the key properties of 7-ethyl-4-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
7-ethyl-4-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 260.34 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 24988083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).