6-amino-2-chloropyrimidine-4-carboxylic acid

C5H4ClN3O2 — CID 83851854

IUPAC6-amino-2-chloropyrimidine-4-carboxylic acid
SMILESNc1cc(C(=O)O)nc(Cl)n1
InChIInChI=1S/C5H4ClN3O2/c6-5-8-2(4(10)11)1-3(7)9-5/h1H,(H,10,11)(H2,7,8,9)
InChIKeyUHGBKWYISOUYAE-UHFFFAOYSA-N
MW173.56 g/mol
LogP0.41
Rot. Bonds1

About 6-amino-2-chloropyrimidine-4-carboxylic acid

6-amino-2-chloropyrimidine-4-carboxylic acid (PubChem CID 83851854) has the molecular formula C5H4ClN3O2 and a molecular weight of 173.56 g/mol. Its IUPAC name is 6-amino-2-chloropyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-amino-2-chloropyrimidine-4-carboxylic acid
PubChem CID83851854
Molecular FormulaC5H4ClN3O2
Molecular Weight173.56 g/mol
Exact Mass173.00
IUPAC Name6-amino-2-chloropyrimidine-4-carboxylic acid
SMILESNc1cc(C(=O)O)nc(Cl)n1
InChIInChI=1S/C5H4ClN3O2/c6-5-8-2(4(10)11)1-3(7)9-5/h1H,(H,10,11)(H2,7,8,9)
InChIKeyUHGBKWYISOUYAE-UHFFFAOYSA-N
XLogP0.41
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.56
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-chloropyrimidine-4-carboxylic acid?
The IUPAC name of 6-amino-2-chloropyrimidine-4-carboxylic acid (CID 83851854) is 6-amino-2-chloropyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-amino-2-chloropyrimidine-4-carboxylic acid?
The canonical SMILES for 6-amino-2-chloropyrimidine-4-carboxylic acid is Nc1cc(C(=O)O)nc(Cl)n1.
What is the InChIKey of 6-amino-2-chloropyrimidine-4-carboxylic acid?
The InChIKey is UHGBKWYISOUYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN3O2/c6-5-8-2(4(10)11)1-3(7)9-5/h1H,(H,10,11)(H2,7,8,9).
What are the key properties of 6-amino-2-chloropyrimidine-4-carboxylic acid?
6-amino-2-chloropyrimidine-4-carboxylic acid has a molecular weight of 173.56 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-chloropyrimidine-4-carboxylic acid is sourced from PubChem (CID 83851854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).