1,9-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

C10H13N5O2 — CID 3163184

IUPAC1,9-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
SMILESCN1CCCn2c1nc1c2c(=O)[nH]c(=O)n1C
InChIInChI=1S/C10H13N5O2/c1-13-4-3-5-15-6-7(11-9(13)15)14(2)10(17)12-8(6)16/h3-5H2,1-2H3,(H,12,16,17)
InChIKeyMPJTVDBKSZGHPB-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.74
Rot. Bonds

About 1,9-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

1,9-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione (PubChem CID 3163184) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 1,9-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,9-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
PubChem CID3163184
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name1,9-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
SMILESCN1CCCn2c1nc1c2c(=O)[nH]c(=O)n1C
InChIInChI=1S/C10H13N5O2/c1-13-4-3-5-15-6-7(11-9(13)15)14(2)10(17)12-8(6)16/h3-5H2,1-2H3,(H,12,16,17)
InChIKeyMPJTVDBKSZGHPB-UHFFFAOYSA-N
XLogP-0.74
TPSA75.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,9-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione with MolForge

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Related Compounds

9-(4-chlorophenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 1401146
9-(4-ethylphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 1400515
10-(4-fluorophenyl)-1-methyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione
CID 82018468
(9R)-1-methyl-9-phenyl-6,7,8,9-tetrahydropurino[7,8-a]pyridine-2,4-dione
CID 678655
8-(azepan-1-yl)-7-ethenyl-3-methylpurine-2,6-dione
CID 51056257
(9S)-1-methyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropurino[7,8-a]pyridine-2,4-dione
CID 679576
3-methyl-7-[2-methyl-3-(3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)propyl]-8-piperidin-1-ylpurine-2,6-dione
CID 44967650
7-(2-methoxyethyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione
CID 2988615
3-methyl-7-[2-[2-(3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)ethoxy]ethyl]-8-piperidin-1-ylpurine-2,6-dione
CID 3920803
(7S)-4,7-dimethyl-7,8-dihydropurino[8,7-b][1,3]oxazole-1,3-dione
CID 840604
7-ethyl-8-(4-ethylpiperazin-1-yl)-3-methylpurine-2,6-dione
CID 16812237
7-(2-hydrazinylethyl)-3-methyl-8-piperidin-1-ylpurine-2,6-dione
CID 5128003

Frequently Asked Questions

What is the IUPAC name of 1,9-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione?
The IUPAC name of 1,9-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione (CID 3163184) is 1,9-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
What is the SMILES notation for 1,9-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione?
The canonical SMILES for 1,9-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione is CN1CCCn2c1nc1c2c(=O)[nH]c(=O)n1C.
What is the InChIKey of 1,9-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione?
The InChIKey is MPJTVDBKSZGHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-13-4-3-5-15-6-7(11-9(13)15)14(2)10(17)12-8(6)16/h3-5H2,1-2H3,(H,12,16,17).
What are the key properties of 1,9-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione?
1,9-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione has a molecular weight of 235.25 g/mol, XLogP of -0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione is sourced from PubChem (CID 3163184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).