1,3-dimethyl-7-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]purine-2,6-dione

C15H21N5O3 — CID 97085141

IUPAC1,3-dimethyl-7-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]purine-2,6-dione
SMILESCC(C)N1CCC[C@H](n2cnc3c2c(=O)n(C)c(=O)n3C)C1=O
InChIInChI=1S/C15H21N5O3/c1-9(2)19-7-5-6-10(13(19)21)20-8-16-12-11(20)14(22)18(4)15(23)17(12)3/h8-10H,5-7H2,1-4H3/t10-/m0/s1
InChIKeyMVWKDNRJXJPCIB-JTQLQIEISA-N
MW319.37 g/mol
LogP0.01
Rot. Bonds2

About 1,3-dimethyl-7-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]purine-2,6-dione

1,3-dimethyl-7-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]purine-2,6-dione (PubChem CID 97085141) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 1,3-dimethyl-7-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]purine-2,6-dione.

Molecular Properties

Compound Name1,3-dimethyl-7-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]purine-2,6-dione
PubChem CID97085141
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name1,3-dimethyl-7-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]purine-2,6-dione
SMILESCC(C)N1CCC[C@H](n2cnc3c2c(=O)n(C)c(=O)n3C)C1=O
InChIInChI=1S/C15H21N5O3/c1-9(2)19-7-5-6-10(13(19)21)20-8-16-12-11(20)14(22)18(4)15(23)17(12)3/h8-10H,5-7H2,1-4H3/t10-/m0/s1
InChIKeyMVWKDNRJXJPCIB-JTQLQIEISA-N
XLogP0.01
TPSA82.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1,3-dimethyl-7-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]purine-2,6-dione 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

1,3-dimethyl-7-[(3R)-2-oxooxolan-3-yl]purine-2,6-dione
CID 40656548
7-cyclopropyl-3-methyl-1-propan-2-ylpurine-2,6-dione
CID 134381897
3-[3-(methylamino)piperidin-1-yl]-1-propan-2-ylpiperidin-2-one
CID 119919554
7-(1,4-dihydroxy-6-bicyclo[3.1.0]hexanyl)-1,3-dimethylpurine-2,6-dione
CID 141225047
1,3,7-trimethylpurine-2,6-dione
CID 131953138
2-[(3R,4R)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-hydroxy-3-methylpiperidin-1-yl]acetamide
CID 110146271
iron;1,3,7-trimethylpurine-2,6-dione
CID 158445461
7-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
CID 40809617
(3S)-1-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]piperidine-3-carboxylic acid
CID 92659273
1,3-dimethyl-7-[(4-methylpiperidin-1-yl)methyl]purine-2,6-dione
CID 936005
3-(3-amino-1,2,4-triazol-1-yl)-1-propan-2-ylpyrrolidin-2-one
CID 165482460
(3S)-3-methyl-1-propan-2-ylpiperidin-2-one
CID 129101270

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]purine-2,6-dione?
The IUPAC name of 1,3-dimethyl-7-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]purine-2,6-dione (CID 97085141) is 1,3-dimethyl-7-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]purine-2,6-dione.
What is the SMILES notation for 1,3-dimethyl-7-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]purine-2,6-dione?
The canonical SMILES for 1,3-dimethyl-7-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]purine-2,6-dione is CC(C)N1CCC[C@H](n2cnc3c2c(=O)n(C)c(=O)n3C)C1=O.
What is the InChIKey of 1,3-dimethyl-7-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]purine-2,6-dione?
The InChIKey is MVWKDNRJXJPCIB-JTQLQIEISA-N. The full InChI is InChI=1S/C15H21N5O3/c1-9(2)19-7-5-6-10(13(19)21)20-8-16-12-11(20)14(22)18(4)15(23)17(12)3/h8-10H,5-7H2,1-4H3/t10-/m0/s1.
What are the key properties of 1,3-dimethyl-7-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]purine-2,6-dione?
1,3-dimethyl-7-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]purine-2,6-dione has a molecular weight of 319.37 g/mol, XLogP of 0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]purine-2,6-dione is sourced from PubChem (CID 97085141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).