5,5,7-trimethyl-2-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-6-one

C14H20N4O — CID 24988082

IUPAC5,5,7-trimethyl-2-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-6-one
SMILESCN1C(=O)C(C)(C)c2cnc(N3CCCCC3)nc21
InChIInChI=1S/C14H20N4O/c1-14(2)10-9-15-13(18-7-5-4-6-8-18)16-11(10)17(3)12(14)19/h9H,4-8H2,1-3H3
InChIKeyAPLPVTXMBXTAOS-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.72
Rot. Bonds1

About 5,5,7-trimethyl-2-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-6-one

5,5,7-trimethyl-2-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 24988082) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5,5,7-trimethyl-2-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name5,5,7-trimethyl-2-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-6-one
PubChem CID24988082
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5,5,7-trimethyl-2-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-6-one
SMILESCN1C(=O)C(C)(C)c2cnc(N3CCCCC3)nc21
InChIInChI=1S/C14H20N4O/c1-14(2)10-9-15-13(18-7-5-4-6-8-18)16-11(10)17(3)12(14)19/h9H,4-8H2,1-3H3
InChIKeyAPLPVTXMBXTAOS-UHFFFAOYSA-N
XLogP1.72
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,5,7-trimethyl-2-piperidin-1-ylpyrrolo[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

Related Compounds

[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)methanone
CID 72862751
5-methyl-2-piperidin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 24988079
4-methyl-2-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 16653120
5-bromo-4-methyl-2-piperidin-1-ylpyrimidine
CID 82373594
6-bromo-2-piperidin-1-ylquinazoline
CID 165497693
9-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 138808960
4-(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 3631524
5-fluoro-4-methylsulfinyl-2-piperidin-1-ylpyrimidine
CID 169090105
2-(4-tert-butylpiperidin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 3078657
2-pyrrolidin-1-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline
CID 169265947
ethane;2-piperidin-1-ylpyrimidin-5-amine
CID 166532022
2-pyrrolidin-1-yl-6H-pyrido[4,3-d]pyrimidin-5-one
CID 20867039

Frequently Asked Questions

What is the IUPAC name of 5,5,7-trimethyl-2-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 5,5,7-trimethyl-2-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-6-one (CID 24988082) is 5,5,7-trimethyl-2-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 5,5,7-trimethyl-2-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 5,5,7-trimethyl-2-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-6-one is CN1C(=O)C(C)(C)c2cnc(N3CCCCC3)nc21.
What is the InChIKey of 5,5,7-trimethyl-2-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is APLPVTXMBXTAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-14(2)10-9-15-13(18-7-5-4-6-8-18)16-11(10)17(3)12(14)19/h9H,4-8H2,1-3H3.
What are the key properties of 5,5,7-trimethyl-2-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-6-one?
5,5,7-trimethyl-2-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 260.34 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,7-trimethyl-2-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 24988082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).