6-ethoxy-3,7-dihydro-2H-purin-2-amine

C7H11N5O — CID 144554739

IUPAC6-ethoxy-3,7-dihydro-2H-purin-2-amine
SMILESCCOC1=NC(N)Nc2nc[nH]c21
InChIInChI=1S/C7H11N5O/c1-2-13-6-4-5(10-3-9-4)11-7(8)12-6/h3,7,11H,2,8H2,1H3,(H,9,10)
InChIKeyQKOQCOKIGOICEQ-UHFFFAOYSA-N
MW181.20 g/mol
LogP-0.14
Rot. Bonds1

About 6-ethoxy-3,7-dihydro-2H-purin-2-amine

6-ethoxy-3,7-dihydro-2H-purin-2-amine (PubChem CID 144554739) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is 6-ethoxy-3,7-dihydro-2H-purin-2-amine.

Molecular Properties

Compound Name6-ethoxy-3,7-dihydro-2H-purin-2-amine
PubChem CID144554739
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name6-ethoxy-3,7-dihydro-2H-purin-2-amine
SMILESCCOC1=NC(N)Nc2nc[nH]c21
InChIInChI=1S/C7H11N5O/c1-2-13-6-4-5(10-3-9-4)11-7(8)12-6/h3,7,11H,2,8H2,1H3,(H,9,10)
InChIKeyQKOQCOKIGOICEQ-UHFFFAOYSA-N
XLogP-0.14
TPSA88.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-6,7-dihydro-3H-purin-2-amine
CID 14795176
4-(methoxymethyl)-5-methyl-3H-imidazole
CID 12362436
Methyl 5-aminoimidazole-4-thiocarboxylate
CID 129781387
1-Methyl-4-amino-5-(oxazolin-2-yl)imidazole
CID 129797621
4-Amino-5-(oxazolin-2-yl)imidazole
CID 129797919
Ethanamine, 2-((5-methyl-1H-imidazol-4-yl)methoxy)-
CID 157952
4-fluoro-5-(methoxymethyl)-1H-imidazole
CID 55288406
6-(2,2,2-Trifluoroethoxy)-3,7-dihydropurin-2-one
CID 119082940
4-(methoxymethyl)-5-methyl-1H-imidazole;hydrochloride
CID 12885467
6-ethoxy-6,7-dihydro-3H-purin-2-amine
CID 14795177
O-[(4-amino-1H-imidazol-5-yl)methyl]hydroxylamine
CID 18726942
4-(ethoxymethyl)-5-methyl-1H-imidazole;hydrochloride
CID 20331729

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3,7-dihydro-2H-purin-2-amine?
The IUPAC name of 6-ethoxy-3,7-dihydro-2H-purin-2-amine (CID 144554739) is 6-ethoxy-3,7-dihydro-2H-purin-2-amine.
What is the SMILES notation for 6-ethoxy-3,7-dihydro-2H-purin-2-amine?
The canonical SMILES for 6-ethoxy-3,7-dihydro-2H-purin-2-amine is CCOC1=NC(N)Nc2nc[nH]c21.
What is the InChIKey of 6-ethoxy-3,7-dihydro-2H-purin-2-amine?
The InChIKey is QKOQCOKIGOICEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c1-2-13-6-4-5(10-3-9-4)11-7(8)12-6/h3,7,11H,2,8H2,1H3,(H,9,10).
What are the key properties of 6-ethoxy-3,7-dihydro-2H-purin-2-amine?
6-ethoxy-3,7-dihydro-2H-purin-2-amine has a molecular weight of 181.20 g/mol, XLogP of -0.14, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3,7-dihydro-2H-purin-2-amine is sourced from PubChem (CID 144554739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).