4-aminopyrimidine-2-carboxylic acid

C5H5N3O2 — CID 22172594

IUPAC4-aminopyrimidine-2-carboxylic acid
SMILESNc1ccnc(C(=O)O)n1
InChIInChI=1S/C5H5N3O2/c6-3-1-2-7-4(8-3)5(9)10/h1-2H,(H,9,10)(H2,6,7,8)
InChIKeyNUILQFNJMVDDJG-UHFFFAOYSA-N
MW139.11 g/mol
LogP-0.24
Rot. Bonds1

About 4-aminopyrimidine-2-carboxylic acid

4-aminopyrimidine-2-carboxylic acid (PubChem CID 22172594) has the molecular formula C5H5N3O2 and a molecular weight of 139.11 g/mol. Its IUPAC name is 4-aminopyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-aminopyrimidine-2-carboxylic acid
PubChem CID22172594
Molecular FormulaC5H5N3O2
Molecular Weight139.11 g/mol
Exact Mass139.04
IUPAC Name4-aminopyrimidine-2-carboxylic acid
SMILESNc1ccnc(C(=O)O)n1
InChIInChI=1S/C5H5N3O2/c6-3-1-2-7-4(8-3)5(9)10/h1-2H,(H,9,10)(H2,6,7,8)
InChIKeyNUILQFNJMVDDJG-UHFFFAOYSA-N
XLogP-0.24
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.11
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-aminopyrimidine-2-carboxylic acid?
The IUPAC name of 4-aminopyrimidine-2-carboxylic acid (CID 22172594) is 4-aminopyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-aminopyrimidine-2-carboxylic acid?
The canonical SMILES for 4-aminopyrimidine-2-carboxylic acid is Nc1ccnc(C(=O)O)n1.
What is the InChIKey of 4-aminopyrimidine-2-carboxylic acid?
The InChIKey is NUILQFNJMVDDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O2/c6-3-1-2-7-4(8-3)5(9)10/h1-2H,(H,9,10)(H2,6,7,8).
What are the key properties of 4-aminopyrimidine-2-carboxylic acid?
4-aminopyrimidine-2-carboxylic acid has a molecular weight of 139.11 g/mol, XLogP of -0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopyrimidine-2-carboxylic acid is sourced from PubChem (CID 22172594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).