2-(2-amino-6-chloropurin-9-yl)acetic acid

C7H6ClN5O2 — CID 4192833

IUPAC2-(2-amino-6-chloropurin-9-yl)acetic acid
SMILESNc1nc(Cl)c2ncn(CC(=O)O)c2n1
InChIInChI=1S/C7H6ClN5O2/c8-5-4-6(12-7(9)11-5)13(2-10-4)1-3(14)15/h2H,1H2,(H,14,15)(H2,9,11,12)
InChIKeyLRZBBTTUKFVUMZ-UHFFFAOYSA-N
MW227.61 g/mol
LogP0.15
Rot. Bonds2

About 2-(2-amino-6-chloropurin-9-yl)acetic acid

2-(2-amino-6-chloropurin-9-yl)acetic acid (PubChem CID 4192833) has the molecular formula C7H6ClN5O2 and a molecular weight of 227.61 g/mol. Its IUPAC name is 2-(2-amino-6-chloropurin-9-yl)acetic acid.

Molecular Properties

Compound Name2-(2-amino-6-chloropurin-9-yl)acetic acid
PubChem CID4192833
Molecular FormulaC7H6ClN5O2
Molecular Weight227.61 g/mol
Exact Mass227.02
IUPAC Name2-(2-amino-6-chloropurin-9-yl)acetic acid
SMILESNc1nc(Cl)c2ncn(CC(=O)O)c2n1
InChIInChI=1S/C7H6ClN5O2/c8-5-4-6(12-7(9)11-5)13(2-10-4)1-3(14)15/h2H,1H2,(H,14,15)(H2,9,11,12)
InChIKeyLRZBBTTUKFVUMZ-UHFFFAOYSA-N
XLogP0.15
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.61
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-chloropurin-9-yl)acetic acid?
The IUPAC name of 2-(2-amino-6-chloropurin-9-yl)acetic acid (CID 4192833) is 2-(2-amino-6-chloropurin-9-yl)acetic acid.
What is the SMILES notation for 2-(2-amino-6-chloropurin-9-yl)acetic acid?
The canonical SMILES for 2-(2-amino-6-chloropurin-9-yl)acetic acid is Nc1nc(Cl)c2ncn(CC(=O)O)c2n1.
What is the InChIKey of 2-(2-amino-6-chloropurin-9-yl)acetic acid?
The InChIKey is LRZBBTTUKFVUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN5O2/c8-5-4-6(12-7(9)11-5)13(2-10-4)1-3(14)15/h2H,1H2,(H,14,15)(H2,9,11,12).
What are the key properties of 2-(2-amino-6-chloropurin-9-yl)acetic acid?
2-(2-amino-6-chloropurin-9-yl)acetic acid has a molecular weight of 227.61 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-chloropurin-9-yl)acetic acid is sourced from PubChem (CID 4192833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).