1-(2-aminopyrimidin-4-yl)cyclobutane-1-carboxylic acid

C9H11N3O2 — CID 83847292

IUPAC1-(2-aminopyrimidin-4-yl)cyclobutane-1-carboxylic acid
SMILESNc1nccc(C2(C(=O)O)CCC2)n1
InChIInChI=1S/C9H11N3O2/c10-8-11-5-2-6(12-8)9(7(13)14)3-1-4-9/h2,5H,1,3-4H2,(H,13,14)(H2,10,11,12)
InChIKeyWAGPNZSZJWIZNY-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.57
Rot. Bonds2

About 1-(2-aminopyrimidin-4-yl)cyclobutane-1-carboxylic acid

1-(2-aminopyrimidin-4-yl)cyclobutane-1-carboxylic acid (PubChem CID 83847292) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-(2-aminopyrimidin-4-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminopyrimidin-4-yl)cyclobutane-1-carboxylic acid
PubChem CID83847292
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name1-(2-aminopyrimidin-4-yl)cyclobutane-1-carboxylic acid
SMILESNc1nccc(C2(C(=O)O)CCC2)n1
InChIInChI=1S/C9H11N3O2/c10-8-11-5-2-6(12-8)9(7(13)14)3-1-4-9/h2,5H,1,3-4H2,(H,13,14)(H2,10,11,12)
InChIKeyWAGPNZSZJWIZNY-UHFFFAOYSA-N
XLogP0.57
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopyrimidin-4-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2-aminopyrimidin-4-yl)cyclobutane-1-carboxylic acid (CID 83847292) is 1-(2-aminopyrimidin-4-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2-aminopyrimidin-4-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2-aminopyrimidin-4-yl)cyclobutane-1-carboxylic acid is Nc1nccc(C2(C(=O)O)CCC2)n1.
What is the InChIKey of 1-(2-aminopyrimidin-4-yl)cyclobutane-1-carboxylic acid?
The InChIKey is WAGPNZSZJWIZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c10-8-11-5-2-6(12-8)9(7(13)14)3-1-4-9/h2,5H,1,3-4H2,(H,13,14)(H2,10,11,12).
What are the key properties of 1-(2-aminopyrimidin-4-yl)cyclobutane-1-carboxylic acid?
1-(2-aminopyrimidin-4-yl)cyclobutane-1-carboxylic acid has a molecular weight of 193.21 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopyrimidin-4-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 83847292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).