2-amino-9-[(2,2-dimethylcyclopropyl)methyl]-1H-purin-6-one

C11H15N5O — CID 174463450

IUPAC2-amino-9-[(2,2-dimethylcyclopropyl)methyl]-1H-purin-6-one
SMILESCC1(C)CC1Cn1cnc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C11H15N5O/c1-11(2)3-6(11)4-16-5-13-7-8(16)14-10(12)15-9(7)17/h5-6H,3-4H2,1-2H3,(H3,12,14,15,17)
InChIKeyXWLSHOMQFZIYSZ-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.75
Rot. Bonds2

About 2-amino-9-[(2,2-dimethylcyclopropyl)methyl]-1H-purin-6-one

2-amino-9-[(2,2-dimethylcyclopropyl)methyl]-1H-purin-6-one (PubChem CID 174463450) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-amino-9-[(2,2-dimethylcyclopropyl)methyl]-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-[(2,2-dimethylcyclopropyl)methyl]-1H-purin-6-one
PubChem CID174463450
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name2-amino-9-[(2,2-dimethylcyclopropyl)methyl]-1H-purin-6-one
SMILESCC1(C)CC1Cn1cnc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C11H15N5O/c1-11(2)3-6(11)4-16-5-13-7-8(16)14-10(12)15-9(7)17/h5-6H,3-4H2,1-2H3,(H3,12,14,15,17)
InChIKeyXWLSHOMQFZIYSZ-UHFFFAOYSA-N
XLogP0.75
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-9-[(2,2-dimethylcyclopropyl)methyl]-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-[[3-(hydroxymethyl)-2,2-dimethylcyclobutyl]methyl]-1H-purin-6-one
CID 135993345
2-amino-9-ethyl-1H-purin-6-one
CID 135415584
2-amino-9-[[(1R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]-1H-purin-6-one
CID 163682461
2-amino-9-[[3-(hydroxymethyl)cyclopentyl]methyl]-1H-purin-6-one
CID 135426586
2-amino-9-[[(2S)-2-(hydroxymethyl)cyclohexyl]methyl]-1H-purin-6-one
CID 135625260
2-amino-9-[[2,2-difluoro-3-(hydroxymethyl)cyclopropyl]methyl]-1H-purin-6-one
CID 135856504
2-amino-9-octyl-1H-purin-6-one
CID 135415590
2-amino-9-(3,4-dihydro-2H-pyran-2-ylmethyl)-1H-purin-6-one
CID 136771347
[1-[(2-amino-6-oxo-1H-purin-9-yl)methyl]-2-methylcyclopropyl]oxymethylphosphonic acid
CID 135484438
2-amino-9-(2-aminoethyl)-1H-purin-6-one;hydrochloride
CID 162422020
2-amino-9-(2-hydroxyethyl)-1H-purin-6-one;ethane;methanol
CID 153365638
[2-[(2-amino-6-oxo-1H-purin-9-yl)methyl]cyclohexyl]methyl propanoate
CID 135992578

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[(2,2-dimethylcyclopropyl)methyl]-1H-purin-6-one?
The IUPAC name of 2-amino-9-[(2,2-dimethylcyclopropyl)methyl]-1H-purin-6-one (CID 174463450) is 2-amino-9-[(2,2-dimethylcyclopropyl)methyl]-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-[(2,2-dimethylcyclopropyl)methyl]-1H-purin-6-one?
The canonical SMILES for 2-amino-9-[(2,2-dimethylcyclopropyl)methyl]-1H-purin-6-one is CC1(C)CC1Cn1cnc2c(=O)[nH]c(N)nc21.
What is the InChIKey of 2-amino-9-[(2,2-dimethylcyclopropyl)methyl]-1H-purin-6-one?
The InChIKey is XWLSHOMQFZIYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-11(2)3-6(11)4-16-5-13-7-8(16)14-10(12)15-9(7)17/h5-6H,3-4H2,1-2H3,(H3,12,14,15,17).
What are the key properties of 2-amino-9-[(2,2-dimethylcyclopropyl)methyl]-1H-purin-6-one?
2-amino-9-[(2,2-dimethylcyclopropyl)methyl]-1H-purin-6-one has a molecular weight of 233.27 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-[(2,2-dimethylcyclopropyl)methyl]-1H-purin-6-one is sourced from PubChem (CID 174463450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).