2-(7H-purin-6-ylamino)acetamide

C7H8N6O — CID 14778352

IUPAC2-(7H-purin-6-ylamino)acetamide
SMILESNC(=O)CNc1ncnc2nc[nH]c12
InChIInChI=1S/C7H8N6O/c8-4(14)1-9-6-5-7(11-2-10-5)13-3-12-6/h2-3H,1H2,(H2,8,14)(H2,9,10,11,12,13)
InChIKeyWIFHSKZDPZUSLN-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.75
Rot. Bonds3

About 2-(7H-purin-6-ylamino)acetamide

2-(7H-purin-6-ylamino)acetamide (PubChem CID 14778352) has the molecular formula C7H8N6O and a molecular weight of 192.18 g/mol. Its IUPAC name is 2-(7H-purin-6-ylamino)acetamide.

Molecular Properties

Compound Name2-(7H-purin-6-ylamino)acetamide
PubChem CID14778352
Molecular FormulaC7H8N6O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC Name2-(7H-purin-6-ylamino)acetamide
SMILESNC(=O)CNc1ncnc2nc[nH]c12
InChIInChI=1S/C7H8N6O/c8-4(14)1-9-6-5-7(11-2-10-5)13-3-12-6/h2-3H,1H2,(H2,8,14)(H2,9,10,11,12,13)
InChIKeyWIFHSKZDPZUSLN-UHFFFAOYSA-N
XLogP-0.75
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Adenine
CID 190
2,6-Diaminopurine
CID 30976
Isopentenyladenine
CID 92180
6-Hydroxyaminopurine
CID 21876
6-Dimethylaminopurine
CID 3134
2-Fluoroadenine
CID 12790
N6-Methyladenine
CID 67955
6-Morpholin-4-YL-9H-purine
CID 76098
Adenine hydrochloride
CID 76219
N6-Hydroxy-9H-purine-2,6-diamine
CID 101513
2-Methyladenine
CID 15048
2-Chloroadenine
CID 94904

Frequently Asked Questions

What is the IUPAC name of 2-(7H-purin-6-ylamino)acetamide?
The IUPAC name of 2-(7H-purin-6-ylamino)acetamide (CID 14778352) is 2-(7H-purin-6-ylamino)acetamide.
What is the SMILES notation for 2-(7H-purin-6-ylamino)acetamide?
The canonical SMILES for 2-(7H-purin-6-ylamino)acetamide is NC(=O)CNc1ncnc2nc[nH]c12.
What is the InChIKey of 2-(7H-purin-6-ylamino)acetamide?
The InChIKey is WIFHSKZDPZUSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O/c8-4(14)1-9-6-5-7(11-2-10-5)13-3-12-6/h2-3H,1H2,(H2,8,14)(H2,9,10,11,12,13).
What are the key properties of 2-(7H-purin-6-ylamino)acetamide?
2-(7H-purin-6-ylamino)acetamide has a molecular weight of 192.18 g/mol, XLogP of -0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7H-purin-6-ylamino)acetamide is sourced from PubChem (CID 14778352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).