9-[2-(methoxymethylamino)ethyl]purin-6-amine

C9H14N6O — CID 67932489

IUPAC9-[2-(methoxymethylamino)ethyl]purin-6-amine
SMILESCOCNCCn1cnc2c(N)ncnc21
InChIInChI=1S/C9H14N6O/c1-16-6-11-2-3-15-5-14-7-8(10)12-4-13-9(7)15/h4-5,11H,2-3,6H2,1H3,(H2,10,12,13)
InChIKeyRMSSDSCXISRQNE-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.40
Rot. Bonds5

About 9-[2-(methoxymethylamino)ethyl]purin-6-amine

9-[2-(methoxymethylamino)ethyl]purin-6-amine (PubChem CID 67932489) has the molecular formula C9H14N6O and a molecular weight of 222.25 g/mol. Its IUPAC name is 9-[2-(methoxymethylamino)ethyl]purin-6-amine.

Molecular Properties

Compound Name9-[2-(methoxymethylamino)ethyl]purin-6-amine
PubChem CID67932489
Molecular FormulaC9H14N6O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name9-[2-(methoxymethylamino)ethyl]purin-6-amine
SMILESCOCNCCn1cnc2c(N)ncnc21
InChIInChI=1S/C9H14N6O/c1-16-6-11-2-3-15-5-14-7-8(10)12-4-13-9(7)15/h4-5,11H,2-3,6H2,1H3,(H2,10,12,13)
InChIKeyRMSSDSCXISRQNE-UHFFFAOYSA-N
XLogP-0.40
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

9-[2-(pentylamino)ethyl]purin-6-amine
CID 154003218
9-[2-[methoxy(methyl)amino]ethyl]purin-6-amine;hydrochloride
CID 88596334
2-(6-aminopurin-9-yl)ethylazanium
CID 5248631
9-nonylpurin-6-amine
CID 3816519
4-(6-aminopurin-9-yl)-2-methylbutan-2-ol
CID 79360393
9-[2-[2-(6-aminopurin-9-yl)ethoxy-methylphosphoryl]oxyethyl]purin-6-amine
CID 175273885
9-(3-methoxy-2-phosphanylpropyl)purin-6-amine
CID 57195073
methyl 4-(6-aminopurin-9-yl)-2,3-dihydroxybutanoate
CID 585243
9-[2-(2-phosphanylethoxy)ethyl]purin-6-amine
CID 151693053
9-[2-[2-(dimethylamino)ethoxy]ethyl]purin-6-amine
CID 15334366
2-(6-aminopurin-9-yl)ethoxy-cyanocyanamide
CID 146590350
9-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]purin-6-amine
CID 2815795

Frequently Asked Questions

What is the IUPAC name of 9-[2-(methoxymethylamino)ethyl]purin-6-amine?
The IUPAC name of 9-[2-(methoxymethylamino)ethyl]purin-6-amine (CID 67932489) is 9-[2-(methoxymethylamino)ethyl]purin-6-amine.
What is the SMILES notation for 9-[2-(methoxymethylamino)ethyl]purin-6-amine?
The canonical SMILES for 9-[2-(methoxymethylamino)ethyl]purin-6-amine is COCNCCn1cnc2c(N)ncnc21.
What is the InChIKey of 9-[2-(methoxymethylamino)ethyl]purin-6-amine?
The InChIKey is RMSSDSCXISRQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O/c1-16-6-11-2-3-15-5-14-7-8(10)12-4-13-9(7)15/h4-5,11H,2-3,6H2,1H3,(H2,10,12,13).
What are the key properties of 9-[2-(methoxymethylamino)ethyl]purin-6-amine?
9-[2-(methoxymethylamino)ethyl]purin-6-amine has a molecular weight of 222.25 g/mol, XLogP of -0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(methoxymethylamino)ethyl]purin-6-amine is sourced from PubChem (CID 67932489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).