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

C5H4ClN3O2 — CID 71299798

IUPAC2-amino-4-chloropyrimidine-5-carboxylic acid
SMILESNc1ncc(C(=O)O)c(Cl)n1
InChIInChI=1S/C5H4ClN3O2/c6-3-2(4(10)11)1-8-5(7)9-3/h1H,(H,10,11)(H2,7,8,9)
InChIKeyYISUXFZYHBEMSR-UHFFFAOYSA-N
MW173.56 g/mol
LogP0.41
Rot. Bonds1

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

2-amino-4-chloropyrimidine-5-carboxylic acid (PubChem CID 71299798) has the molecular formula C5H4ClN3O2 and a molecular weight of 173.56 g/mol. Its IUPAC name is 2-amino-4-chloropyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-chloropyrimidine-5-carboxylic acid
PubChem CID71299798
Molecular FormulaC5H4ClN3O2
Molecular Weight173.56 g/mol
Exact Mass173.00
IUPAC Name2-amino-4-chloropyrimidine-5-carboxylic acid
SMILESNc1ncc(C(=O)O)c(Cl)n1
InChIInChI=1S/C5H4ClN3O2/c6-3-2(4(10)11)1-8-5(7)9-3/h1H,(H,10,11)(H2,7,8,9)
InChIKeyYISUXFZYHBEMSR-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 2-amino-4-chloropyrimidine-5-carboxylic acid?
The IUPAC name of 2-amino-4-chloropyrimidine-5-carboxylic acid (CID 71299798) is 2-amino-4-chloropyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-amino-4-chloropyrimidine-5-carboxylic acid?
The canonical SMILES for 2-amino-4-chloropyrimidine-5-carboxylic acid is Nc1ncc(C(=O)O)c(Cl)n1.
What is the InChIKey of 2-amino-4-chloropyrimidine-5-carboxylic acid?
The InChIKey is YISUXFZYHBEMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN3O2/c6-3-2(4(10)11)1-8-5(7)9-3/h1H,(H,10,11)(H2,7,8,9).
What are the key properties of 2-amino-4-chloropyrimidine-5-carboxylic acid?
2-amino-4-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 2-amino-4-chloropyrimidine-5-carboxylic acid is sourced from PubChem (CID 71299798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).