1,5-dimethylpyrimidine-2,4-dione;9-methylpurin-6-amine

C12H15N7O2 — CID 139146359

IUPAC1,5-dimethylpyrimidine-2,4-dione;9-methylpurin-6-amine
SMILESCc1cn(C)c(=O)[nH]c1=O.Cn1cnc2c(N)ncnc21
InChIInChI=1S/C6H7N5.C6H8N2O2/c1-11-3-10-4-5(7)8-2-9-6(4)11;1-4-3-8(2)6(10)7-5(4)9/h2-3H,1H3,(H2,7,8,9);3H,1-2H3,(H,7,9,10)
InChIKeyTWGVYTNJFAVTCO-UHFFFAOYSA-N
MW289.30 g/mol
LogP-0.67
Rot. Bonds

About 1,5-dimethylpyrimidine-2,4-dione;9-methylpurin-6-amine

1,5-dimethylpyrimidine-2,4-dione;9-methylpurin-6-amine (PubChem CID 139146359) has the molecular formula C12H15N7O2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 1,5-dimethylpyrimidine-2,4-dione;9-methylpurin-6-amine.

Molecular Properties

Compound Name1,5-dimethylpyrimidine-2,4-dione;9-methylpurin-6-amine
PubChem CID139146359
Molecular FormulaC12H15N7O2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name1,5-dimethylpyrimidine-2,4-dione;9-methylpurin-6-amine
SMILESCc1cn(C)c(=O)[nH]c1=O.Cn1cnc2c(N)ncnc21
InChIInChI=1S/C6H7N5.C6H8N2O2/c1-11-3-10-4-5(7)8-2-9-6(4)11;1-4-3-8(2)6(10)7-5(4)9/h2-3H,1H3,(H2,7,8,9);3H,1-2H3,(H,7,9,10)
InChIKeyTWGVYTNJFAVTCO-UHFFFAOYSA-N
XLogP-0.67
TPSA124.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1,5-dimethylpyrimidine-2,4-dione;9-methylpurin-6-amine 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

tetrakis(1,1,1,3,3,3-hexafluoropropan-2-ol);bis(9-methylpurin-6-amine)
CID 139202411
[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-fluorooxolan-2-yl]methanol;1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 159760470
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 66716546
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;3,7-dimethylpurine-2,6-dione
CID 159864050
1-[(5R)-5-[[[(2R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 149246791
9-phosphorosopurin-6-amine
CID 57110561
1-(6-aminopurin-9-yl)ethanone
CID 56662952
[5-(6-aminopurin-9-yl)-2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] [3-[hydroxy-[[3-[hydroxy-[[5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
CID 22891901
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
CID 101064946
1-[(2R,4S,5R)-5-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 174700425
[4-[(4-acetyloxyphenyl)-cyclohexylidenemethyl]phenyl] acetate;9-methylpurin-6-amine
CID 131719616
[1-(6-aminopurin-9-yl)-1-methoxyethyl]-oxophosphanium
CID 173101965

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylpyrimidine-2,4-dione;9-methylpurin-6-amine?
The IUPAC name of 1,5-dimethylpyrimidine-2,4-dione;9-methylpurin-6-amine (CID 139146359) is 1,5-dimethylpyrimidine-2,4-dione;9-methylpurin-6-amine.
What is the SMILES notation for 1,5-dimethylpyrimidine-2,4-dione;9-methylpurin-6-amine?
The canonical SMILES for 1,5-dimethylpyrimidine-2,4-dione;9-methylpurin-6-amine is Cc1cn(C)c(=O)[nH]c1=O.Cn1cnc2c(N)ncnc21.
What is the InChIKey of 1,5-dimethylpyrimidine-2,4-dione;9-methylpurin-6-amine?
The InChIKey is TWGVYTNJFAVTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5.C6H8N2O2/c1-11-3-10-4-5(7)8-2-9-6(4)11;1-4-3-8(2)6(10)7-5(4)9/h2-3H,1H3,(H2,7,8,9);3H,1-2H3,(H,7,9,10).
What are the key properties of 1,5-dimethylpyrimidine-2,4-dione;9-methylpurin-6-amine?
1,5-dimethylpyrimidine-2,4-dione;9-methylpurin-6-amine has a molecular weight of 289.30 g/mol, XLogP of -0.67, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylpyrimidine-2,4-dione;9-methylpurin-6-amine is sourced from PubChem (CID 139146359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).