3,7-dimethyl-8-[[(3R)-1-phenylpyrrolidin-3-yl]amino]purine-2,6-dione

C17H20N6O2 — CID 97075217

IUPAC3,7-dimethyl-8-[[(3R)-1-phenylpyrrolidin-3-yl]amino]purine-2,6-dione
SMILESCn1c(N[C@@H]2CCN(c3ccccc3)C2)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C17H20N6O2/c1-21-13-14(22(2)17(25)20-15(13)24)19-16(21)18-11-8-9-23(10-11)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,18,19)(H,20,24,25)/t11-/m1/s1
InChIKeyOYAJNCVBCLWBFL-LLVKDONJSA-N
MW340.39 g/mol
LogP0.65
Rot. Bonds3

About 3,7-dimethyl-8-[[(3R)-1-phenylpyrrolidin-3-yl]amino]purine-2,6-dione

3,7-dimethyl-8-[[(3R)-1-phenylpyrrolidin-3-yl]amino]purine-2,6-dione (PubChem CID 97075217) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 3,7-dimethyl-8-[[(3R)-1-phenylpyrrolidin-3-yl]amino]purine-2,6-dione.

Molecular Properties

Compound Name3,7-dimethyl-8-[[(3R)-1-phenylpyrrolidin-3-yl]amino]purine-2,6-dione
PubChem CID97075217
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name3,7-dimethyl-8-[[(3R)-1-phenylpyrrolidin-3-yl]amino]purine-2,6-dione
SMILESCn1c(N[C@@H]2CCN(c3ccccc3)C2)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C17H20N6O2/c1-21-13-14(22(2)17(25)20-15(13)24)19-16(21)18-11-8-9-23(10-11)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,18,19)(H,20,24,25)/t11-/m1/s1
InChIKeyOYAJNCVBCLWBFL-LLVKDONJSA-N
XLogP0.65
TPSA87.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3,7-dimethyl-8-[[(3R)-1-phenylpyrrolidin-3-yl]amino]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

3,7-dimethyl-8-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]purine-2,6-dione
CID 95313494
8-anilino-3,7-dimethylpurine-2,6-dione;hydrochloride
CID 166190002
7-benzyl-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione
CID 1089313
8-[[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]amino]-3,7-dimethylpurine-2,6-dione
CID 122559941
8-(cyclopentylamino)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione
CID 1089301
(9R)-1-methyl-9-phenyl-6,7,8,9-tetrahydropurino[7,8-a]pyridine-2,4-dione
CID 678655
5-chloro-4-[[(3S)-1-phenylpyrrolidin-3-yl]amino]-1H-pyridazin-6-one
CID 97209139
2-[(3,7-dimethyl-2,6-dioxopurin-8-yl)amino]acetic acid
CID 5136088
7-benzyl-3-methyl-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione
CID 6958477
2-methyl-5-[3-[[(1-phenylpiperidin-4-yl)amino]methyl]pyrrolidin-1-yl]pyridazin-3-one
CID 45252002
9-benzyl-1-methyl-7,9-dihydro-6H-purino[7,8-a]pyridine-2,4,8-trione
CID 44721698
7-[(2S)-2-hydroxy-2-phenylethyl]-3-methyl-8-morpholin-4-ylpurine-2,6-dione
CID 7120114

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-8-[[(3R)-1-phenylpyrrolidin-3-yl]amino]purine-2,6-dione?
The IUPAC name of 3,7-dimethyl-8-[[(3R)-1-phenylpyrrolidin-3-yl]amino]purine-2,6-dione (CID 97075217) is 3,7-dimethyl-8-[[(3R)-1-phenylpyrrolidin-3-yl]amino]purine-2,6-dione.
What is the SMILES notation for 3,7-dimethyl-8-[[(3R)-1-phenylpyrrolidin-3-yl]amino]purine-2,6-dione?
The canonical SMILES for 3,7-dimethyl-8-[[(3R)-1-phenylpyrrolidin-3-yl]amino]purine-2,6-dione is Cn1c(N[C@@H]2CCN(c3ccccc3)C2)nc2c1c(=O)[nH]c(=O)n2C.
What is the InChIKey of 3,7-dimethyl-8-[[(3R)-1-phenylpyrrolidin-3-yl]amino]purine-2,6-dione?
The InChIKey is OYAJNCVBCLWBFL-LLVKDONJSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-21-13-14(22(2)17(25)20-15(13)24)19-16(21)18-11-8-9-23(10-11)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,18,19)(H,20,24,25)/t11-/m1/s1.
What are the key properties of 3,7-dimethyl-8-[[(3R)-1-phenylpyrrolidin-3-yl]amino]purine-2,6-dione?
3,7-dimethyl-8-[[(3R)-1-phenylpyrrolidin-3-yl]amino]purine-2,6-dione has a molecular weight of 340.39 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-8-[[(3R)-1-phenylpyrrolidin-3-yl]amino]purine-2,6-dione is sourced from PubChem (CID 97075217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).