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

C8H10N6O2 — CID 114783703

IUPACmethyl 2-[(2-amino-7H-purin-6-yl)amino]acetate
SMILESCOC(=O)CNc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C8H10N6O2/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)
InChIKeyDMRCVWMKHRKKMS-UHFFFAOYSA-N
MW222.21 g/mol
LogP-0.48
Rot. Bonds3

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

methyl 2-[(2-amino-7H-purin-6-yl)amino]acetate (PubChem CID 114783703) has the molecular formula C8H10N6O2 and a molecular weight of 222.21 g/mol. Its IUPAC name is methyl 2-[(2-amino-7H-purin-6-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-7H-purin-6-yl)amino]acetate
PubChem CID114783703
Molecular FormulaC8H10N6O2
Molecular Weight222.21 g/mol
Exact Mass222.09
IUPAC Namemethyl 2-[(2-amino-7H-purin-6-yl)amino]acetate
SMILESCOC(=O)CNc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C8H10N6O2/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)
InChIKeyDMRCVWMKHRKKMS-UHFFFAOYSA-N
XLogP-0.48
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 5-0.48
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?
The IUPAC name of methyl 2-[(2-amino-7H-purin-6-yl)amino]acetate (CID 114783703) is methyl 2-[(2-amino-7H-purin-6-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-amino-7H-purin-6-yl)amino]acetate?
The canonical SMILES for methyl 2-[(2-amino-7H-purin-6-yl)amino]acetate is COC(=O)CNc1nc(N)nc2nc[nH]c12.
What is the InChIKey of methyl 2-[(2-amino-7H-purin-6-yl)amino]acetate?
The InChIKey is DMRCVWMKHRKKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2/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).
What are the key properties of methyl 2-[(2-amino-7H-purin-6-yl)amino]acetate?
methyl 2-[(2-amino-7H-purin-6-yl)amino]acetate has a molecular weight of 222.21 g/mol, XLogP of -0.48, 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 is sourced from PubChem (CID 114783703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).