2-[(6-amino-7H-purin-2-yl)sulfanyl]acetic acid

C7H7N5O2S — CID 5200989

IUPAC2-[(6-amino-7H-purin-2-yl)sulfanyl]acetic acid
SMILESNc1nc(SCC(=O)O)nc2nc[nH]c12
InChIInChI=1S/C7H7N5O2S/c8-5-4-6(10-2-9-4)12-7(11-5)15-1-3(13)14/h2H,1H2,(H,13,14)(H3,8,9,10,11,12)
InChIKeyLUZFFQFDMAPJNJ-UHFFFAOYSA-N
MW225.23 g/mol
LogP0.11
Rot. Bonds3

About 2-[(6-amino-7H-purin-2-yl)sulfanyl]acetic acid

2-[(6-amino-7H-purin-2-yl)sulfanyl]acetic acid (PubChem CID 5200989) has the molecular formula C7H7N5O2S and a molecular weight of 225.23 g/mol. Its IUPAC name is 2-[(6-amino-7H-purin-2-yl)sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(6-amino-7H-purin-2-yl)sulfanyl]acetic acid
PubChem CID5200989
Molecular FormulaC7H7N5O2S
Molecular Weight225.23 g/mol
Exact Mass225.03
IUPAC Name2-[(6-amino-7H-purin-2-yl)sulfanyl]acetic acid
SMILESNc1nc(SCC(=O)O)nc2nc[nH]c12
InChIInChI=1S/C7H7N5O2S/c8-5-4-6(10-2-9-4)12-7(11-5)15-1-3(13)14/h2H,1H2,(H,13,14)(H3,8,9,10,11,12)
InChIKeyLUZFFQFDMAPJNJ-UHFFFAOYSA-N
XLogP0.11
TPSA117.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenylsulfanyl-7H-purin-6-amine
CID 69289751
2-(2-methylbutylsulfanyl)-7H-purin-6-amine
CID 68896355
2-propan-2-ylsulfanyl-7H-purin-6-amine
CID 23562726
ethyl 6-amino-7H-purine-2-carboxylate
CID 131259142
1-[(2-amino-7H-purin-6-yl)sulfanyl]propan-2-one
CID 3336308
methyl 6-amino-7H-purine-2-carboxylate
CID 45089293
3-amino-N-(6-amino-7H-purin-2-yl)propanamide
CID 140616343
2-ethyl-7H-purin-6-amine
CID 19795383
2-amino-1,7-dihydropurin-6-one;2-sulfanylacetic acid
CID 157072098
bis(2-methyl-7H-purin-6-amine);sulfuric acid
CID 118855862
3-[2-aminoethyl-[2-(6-amino-7H-purin-2-yl)acetyl]amino]propanoic acid
CID 67635538
(6-amino-7H-purin-2-yl)-morpholin-4-ylmethanone
CID 140856787

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-7H-purin-2-yl)sulfanyl]acetic acid?
The IUPAC name of 2-[(6-amino-7H-purin-2-yl)sulfanyl]acetic acid (CID 5200989) is 2-[(6-amino-7H-purin-2-yl)sulfanyl]acetic acid.
What is the SMILES notation for 2-[(6-amino-7H-purin-2-yl)sulfanyl]acetic acid?
The canonical SMILES for 2-[(6-amino-7H-purin-2-yl)sulfanyl]acetic acid is Nc1nc(SCC(=O)O)nc2nc[nH]c12.
What is the InChIKey of 2-[(6-amino-7H-purin-2-yl)sulfanyl]acetic acid?
The InChIKey is LUZFFQFDMAPJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2S/c8-5-4-6(10-2-9-4)12-7(11-5)15-1-3(13)14/h2H,1H2,(H,13,14)(H3,8,9,10,11,12).
What are the key properties of 2-[(6-amino-7H-purin-2-yl)sulfanyl]acetic acid?
2-[(6-amino-7H-purin-2-yl)sulfanyl]acetic acid has a molecular weight of 225.23 g/mol, XLogP of 0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-7H-purin-2-yl)sulfanyl]acetic acid is sourced from PubChem (CID 5200989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).