2-amino-8-[(dimethylamino)methyl]-9-propan-2-yl-1H-purin-6-one

C11H18N6O — CID 137203823

IUPAC2-amino-8-[(dimethylamino)methyl]-9-propan-2-yl-1H-purin-6-one
SMILESCC(C)n1c(CN(C)C)nc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C11H18N6O/c1-6(2)17-7(5-16(3)4)13-8-9(17)14-11(12)15-10(8)18/h6H,5H2,1-4H3,(H3,12,14,15,18)
InChIKeyWXBBHPTXKCDMHI-UHFFFAOYSA-N
MW250.31 g/mol
LogP0.34
Rot. Bonds3

About 2-amino-8-[(dimethylamino)methyl]-9-propan-2-yl-1H-purin-6-one

2-amino-8-[(dimethylamino)methyl]-9-propan-2-yl-1H-purin-6-one (PubChem CID 137203823) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-amino-8-[(dimethylamino)methyl]-9-propan-2-yl-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-8-[(dimethylamino)methyl]-9-propan-2-yl-1H-purin-6-one
PubChem CID137203823
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name2-amino-8-[(dimethylamino)methyl]-9-propan-2-yl-1H-purin-6-one
SMILESCC(C)n1c(CN(C)C)nc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C11H18N6O/c1-6(2)17-7(5-16(3)4)13-8-9(17)14-11(12)15-10(8)18/h6H,5H2,1-4H3,(H3,12,14,15,18)
InChIKeyWXBBHPTXKCDMHI-UHFFFAOYSA-N
XLogP0.34
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-8-[(dimethylamino)methyl]-9-propan-2-yl-1H-purin-6-one 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

2-amino-9-propan-2-yl-8-(trifluoromethyl)-1H-purin-6-one
CID 135999907
2-amino-9-propan-2-yl-7-prop-2-enyl-1H-purine-6,8-dione
CID 153411211
2-[2-amino-8-(2-methylpropanoyl)-6-oxo-1H-purin-9-yl]acetic acid
CID 135988429
2-amino-9-methyl-6-oxo-1H-purine-8-carbaldehyde
CID 137003628
2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-8-(111C)methoxy-1H-purin-6-one
CID 177418333
2-amino-8-hydroxy-6-(hydroxymethyl)-3H-pteridine-4,7-dione
CID 137234569
2-amino-9-ethyl-1H-purin-6-one
CID 135415584
2-amino-9-(1-methoxyethyl)-1H-purin-6-one
CID 135996340
2-amino-8-[amino(methyl)amino]-9-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 137221757
2-amino-8-ethyl-4,7-dioxo-3H-pteridine-6-carboxylic acid
CID 135436104
3-(2-amino-8-methyl-6-oxo-1H-purin-9-yl)propanoic acid
CID 137158185
2-amino-9-hexyl-8-methyl-1H-purin-6-one
CID 135415609

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-[(dimethylamino)methyl]-9-propan-2-yl-1H-purin-6-one?
The IUPAC name of 2-amino-8-[(dimethylamino)methyl]-9-propan-2-yl-1H-purin-6-one (CID 137203823) is 2-amino-8-[(dimethylamino)methyl]-9-propan-2-yl-1H-purin-6-one.
What is the SMILES notation for 2-amino-8-[(dimethylamino)methyl]-9-propan-2-yl-1H-purin-6-one?
The canonical SMILES for 2-amino-8-[(dimethylamino)methyl]-9-propan-2-yl-1H-purin-6-one is CC(C)n1c(CN(C)C)nc2c(=O)[nH]c(N)nc21.
What is the InChIKey of 2-amino-8-[(dimethylamino)methyl]-9-propan-2-yl-1H-purin-6-one?
The InChIKey is WXBBHPTXKCDMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c1-6(2)17-7(5-16(3)4)13-8-9(17)14-11(12)15-10(8)18/h6H,5H2,1-4H3,(H3,12,14,15,18).
What are the key properties of 2-amino-8-[(dimethylamino)methyl]-9-propan-2-yl-1H-purin-6-one?
2-amino-8-[(dimethylamino)methyl]-9-propan-2-yl-1H-purin-6-one has a molecular weight of 250.31 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-[(dimethylamino)methyl]-9-propan-2-yl-1H-purin-6-one is sourced from PubChem (CID 137203823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).