methyl 2-[(2-amino-7H-purin-6-yl)amino]acetate;dihydrochloride

C8H12Cl2N6O2 — CID 127050741

IUPACmethyl 2-[(2-amino-7H-purin-6-yl)amino]acetate;dihydrochloride
SMILESCOC(=O)CNc1nc(N)nc2nc[nH]c12.Cl.Cl
InChIInChI=1S/C8H10N6O2.2ClH/c1-16-4(15)2-10-6-5-7(12-3-11-5)14-8(9)13-6;;/h3H,2H2,1H3,(H4,9,10,11,12,13,14);2*1H
InChIKeyRVNAYMNIMHBNEU-UHFFFAOYSA-N
MW295.13 g/mol
LogP0.36
Rot. Bonds3

About methyl 2-[(2-amino-7H-purin-6-yl)amino]acetate;dihydrochloride

methyl 2-[(2-amino-7H-purin-6-yl)amino]acetate;dihydrochloride (PubChem CID 127050741) has the molecular formula C8H12Cl2N6O2 and a molecular weight of 295.13 g/mol. Its IUPAC name is methyl 2-[(2-amino-7H-purin-6-yl)amino]acetate;dihydrochloride.

Molecular Properties

Compound Namemethyl 2-[(2-amino-7H-purin-6-yl)amino]acetate;dihydrochloride
PubChem CID127050741
Molecular FormulaC8H12Cl2N6O2
Molecular Weight295.13 g/mol
Exact Mass294.04
IUPAC Namemethyl 2-[(2-amino-7H-purin-6-yl)amino]acetate;dihydrochloride
SMILESCOC(=O)CNc1nc(N)nc2nc[nH]c12.Cl.Cl
InChIInChI=1S/C8H10N6O2.2ClH/c1-16-4(15)2-10-6-5-7(12-3-11-5)14-8(9)13-6;;/h3H,2H2,1H3,(H4,9,10,11,12,13,14);2*1H
InChIKeyRVNAYMNIMHBNEU-UHFFFAOYSA-N
XLogP0.36
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.13
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-7H-purin-6-yl)amino]acetate;dihydrochloride?
The IUPAC name of methyl 2-[(2-amino-7H-purin-6-yl)amino]acetate;dihydrochloride (CID 127050741) is methyl 2-[(2-amino-7H-purin-6-yl)amino]acetate;dihydrochloride.
What is the SMILES notation for methyl 2-[(2-amino-7H-purin-6-yl)amino]acetate;dihydrochloride?
The canonical SMILES for methyl 2-[(2-amino-7H-purin-6-yl)amino]acetate;dihydrochloride is COC(=O)CNc1nc(N)nc2nc[nH]c12.Cl.Cl.
What is the InChIKey of methyl 2-[(2-amino-7H-purin-6-yl)amino]acetate;dihydrochloride?
The InChIKey is RVNAYMNIMHBNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2.2ClH/c1-16-4(15)2-10-6-5-7(12-3-11-5)14-8(9)13-6;;/h3H,2H2,1H3,(H4,9,10,11,12,13,14);2*1H.
What are the key properties of methyl 2-[(2-amino-7H-purin-6-yl)amino]acetate;dihydrochloride?
methyl 2-[(2-amino-7H-purin-6-yl)amino]acetate;dihydrochloride has a molecular weight of 295.13 g/mol, XLogP of 0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-7H-purin-6-yl)amino]acetate;dihydrochloride is sourced from PubChem (CID 127050741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).