4-amino-2-chloropyrimidine-5-carboxylic acid

C5H4ClN3O2 — CID 46863895

IUPAC4-amino-2-chloropyrimidine-5-carboxylic acid
SMILESNc1nc(Cl)ncc1C(=O)O
InChIInChI=1S/C5H4ClN3O2/c6-5-8-1-2(4(10)11)3(7)9-5/h1H,(H,10,11)(H2,7,8,9)
InChIKeyWANKDJMLEJFSMC-UHFFFAOYSA-N
MW173.56 g/mol
LogP0.41
Rot. Bonds1

About 4-amino-2-chloropyrimidine-5-carboxylic acid

4-amino-2-chloropyrimidine-5-carboxylic acid (PubChem CID 46863895) has the molecular formula C5H4ClN3O2 and a molecular weight of 173.56 g/mol. Its IUPAC name is 4-amino-2-chloropyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-chloropyrimidine-5-carboxylic acid
PubChem CID46863895
Molecular FormulaC5H4ClN3O2
Molecular Weight173.56 g/mol
Exact Mass173.00
IUPAC Name4-amino-2-chloropyrimidine-5-carboxylic acid
SMILESNc1nc(Cl)ncc1C(=O)O
InChIInChI=1S/C5H4ClN3O2/c6-5-8-1-2(4(10)11)3(7)9-5/h1H,(H,10,11)(H2,7,8,9)
InChIKeyWANKDJMLEJFSMC-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 4-amino-2-chloropyrimidine-5-carboxylic acid?
The IUPAC name of 4-amino-2-chloropyrimidine-5-carboxylic acid (CID 46863895) is 4-amino-2-chloropyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-amino-2-chloropyrimidine-5-carboxylic acid?
The canonical SMILES for 4-amino-2-chloropyrimidine-5-carboxylic acid is Nc1nc(Cl)ncc1C(=O)O.
What is the InChIKey of 4-amino-2-chloropyrimidine-5-carboxylic acid?
The InChIKey is WANKDJMLEJFSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN3O2/c6-5-8-1-2(4(10)11)3(7)9-5/h1H,(H,10,11)(H2,7,8,9).
What are the key properties of 4-amino-2-chloropyrimidine-5-carboxylic acid?
4-amino-2-chloropyrimidine-5-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 4-amino-2-chloropyrimidine-5-carboxylic acid is sourced from PubChem (CID 46863895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).