N'-[7-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide

C11H16N6O3 — CID 136711719

IUPACN'-[7-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1nc2ncn(COCCO)c2c(=O)[nH]1
InChIInChI=1S/C11H16N6O3/c1-16(2)5-13-11-14-9-8(10(19)15-11)17(6-12-9)7-20-4-3-18/h5-6,18H,3-4,7H2,1-2H3,(H,14,15,19)/b13-5+
InChIKeyYTTQKTXAKHLTQT-WLRTZDKTSA-N
MW280.29 g/mol
LogP-0.69
Rot. Bonds6

About N'-[7-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide

N'-[7-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide (PubChem CID 136711719) has the molecular formula C11H16N6O3 and a molecular weight of 280.29 g/mol. Its IUPAC name is N'-[7-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[7-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide
PubChem CID136711719
Molecular FormulaC11H16N6O3
Molecular Weight280.29 g/mol
Exact Mass280.13
IUPAC NameN'-[7-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1nc2ncn(COCCO)c2c(=O)[nH]1
InChIInChI=1S/C11H16N6O3/c1-16(2)5-13-11-14-9-8(10(19)15-11)17(6-12-9)7-20-4-3-18/h5-6,18H,3-4,7H2,1-2H3,(H,14,15,19)/b13-5+
InChIKeyYTTQKTXAKHLTQT-WLRTZDKTSA-N
XLogP-0.69
TPSA108.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[7-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[7-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[7-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide (CID 136711719) is N'-[7-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[7-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[7-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide is CN(C)/C=N/c1nc2ncn(COCCO)c2c(=O)[nH]1.
What is the InChIKey of N'-[7-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide?
The InChIKey is YTTQKTXAKHLTQT-WLRTZDKTSA-N. The full InChI is InChI=1S/C11H16N6O3/c1-16(2)5-13-11-14-9-8(10(19)15-11)17(6-12-9)7-20-4-3-18/h5-6,18H,3-4,7H2,1-2H3,(H,14,15,19)/b13-5+.
What are the key properties of N'-[7-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide?
N'-[7-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide has a molecular weight of 280.29 g/mol, XLogP of -0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[7-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 136711719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).