(9R)-1-methyl-9-phenyl-6,7,8,9-tetrahydropurino[7,8-a]pyridine-2,4-dione

C16H16N4O2 — CID 678655

IUPAC(9R)-1-methyl-9-phenyl-6,7,8,9-tetrahydropurino[7,8-a]pyridine-2,4-dione
SMILESCn1c(=O)[nH]c(=O)c2c1nc1n2CCC[C@@H]1c1ccccc1
InChIInChI=1S/C16H16N4O2/c1-19-14-12(15(21)18-16(19)22)20-9-5-8-11(13(20)17-14)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3,(H,18,21,22)/t11-/m1/s1
InChIKeyAIADTQKUSLYHDK-LLVKDONJSA-N
MW296.33 g/mol
LogP1.35
Rot. Bonds1

About (9R)-1-methyl-9-phenyl-6,7,8,9-tetrahydropurino[7,8-a]pyridine-2,4-dione

(9R)-1-methyl-9-phenyl-6,7,8,9-tetrahydropurino[7,8-a]pyridine-2,4-dione (PubChem CID 678655) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is (9R)-1-methyl-9-phenyl-6,7,8,9-tetrahydropurino[7,8-a]pyridine-2,4-dione.

Molecular Properties

Compound Name(9R)-1-methyl-9-phenyl-6,7,8,9-tetrahydropurino[7,8-a]pyridine-2,4-dione
PubChem CID678655
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name(9R)-1-methyl-9-phenyl-6,7,8,9-tetrahydropurino[7,8-a]pyridine-2,4-dione
SMILESCn1c(=O)[nH]c(=O)c2c1nc1n2CCC[C@@H]1c1ccccc1
InChIInChI=1S/C16H16N4O2/c1-19-14-12(15(21)18-16(19)22)20-9-5-8-11(13(20)17-14)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3,(H,18,21,22)/t11-/m1/s1
InChIKeyAIADTQKUSLYHDK-LLVKDONJSA-N
XLogP1.35
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (9R)-1-methyl-9-phenyl-6,7,8,9-tetrahydropurino[7,8-a]pyridine-2,4-dione with MolForge

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Related Compounds

(9S)-1-methyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropurino[7,8-a]pyridine-2,4-dione
CID 679576
9-benzyl-1-methyl-7,9-dihydro-6H-purino[7,8-a]pyridine-2,4,8-trione
CID 44721698
1,9-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 3163184
7-benzyl-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione
CID 1089313
10-(4-fluorophenyl)-1-methyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione
CID 82018468
7-benzyl-3-methyl-8-piperidin-1-ylpurine-2,6-dione
CID 679995
9-(4-chlorophenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 1401146
3,7-dimethyl-8-[[(3R)-1-phenylpyrrolidin-3-yl]amino]purine-2,6-dione
CID 97075217
8-(benzylamino)-3,7-dimethylpurine-2,6-dione
CID 677712
9-(4-ethylphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 1400515
3,9-dimethyl-1,2,3,4-tetrahydropurino[8,7-c][1,2,4]triazine-6,8-dione
CID 82018756
8-anilino-3,7-dimethylpurine-2,6-dione;hydrochloride
CID 166190002

Frequently Asked Questions

What is the IUPAC name of (9R)-1-methyl-9-phenyl-6,7,8,9-tetrahydropurino[7,8-a]pyridine-2,4-dione?
The IUPAC name of (9R)-1-methyl-9-phenyl-6,7,8,9-tetrahydropurino[7,8-a]pyridine-2,4-dione (CID 678655) is (9R)-1-methyl-9-phenyl-6,7,8,9-tetrahydropurino[7,8-a]pyridine-2,4-dione.
What is the SMILES notation for (9R)-1-methyl-9-phenyl-6,7,8,9-tetrahydropurino[7,8-a]pyridine-2,4-dione?
The canonical SMILES for (9R)-1-methyl-9-phenyl-6,7,8,9-tetrahydropurino[7,8-a]pyridine-2,4-dione is Cn1c(=O)[nH]c(=O)c2c1nc1n2CCC[C@@H]1c1ccccc1.
What is the InChIKey of (9R)-1-methyl-9-phenyl-6,7,8,9-tetrahydropurino[7,8-a]pyridine-2,4-dione?
The InChIKey is AIADTQKUSLYHDK-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-19-14-12(15(21)18-16(19)22)20-9-5-8-11(13(20)17-14)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3,(H,18,21,22)/t11-/m1/s1.
What are the key properties of (9R)-1-methyl-9-phenyl-6,7,8,9-tetrahydropurino[7,8-a]pyridine-2,4-dione?
(9R)-1-methyl-9-phenyl-6,7,8,9-tetrahydropurino[7,8-a]pyridine-2,4-dione has a molecular weight of 296.33 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-1-methyl-9-phenyl-6,7,8,9-tetrahydropurino[7,8-a]pyridine-2,4-dione is sourced from PubChem (CID 678655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).