4-amino-2-phenylpyrimidine-5-carboxylic acid

C11H9N3O2 — CID 824700

IUPAC4-amino-2-phenylpyrimidine-5-carboxylic acid
SMILESNc1nc(-c2ccccc2)ncc1C(=O)O
InChIInChI=1S/C11H9N3O2/c12-9-8(11(15)16)6-13-10(14-9)7-4-2-1-3-5-7/h1-6H,(H,15,16)(H2,12,13,14)
InChIKeyLLDUUQXHKKSUJU-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.42
Rot. Bonds2

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

4-amino-2-phenylpyrimidine-5-carboxylic acid (PubChem CID 824700) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 4-amino-2-phenylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-phenylpyrimidine-5-carboxylic acid
PubChem CID824700
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name4-amino-2-phenylpyrimidine-5-carboxylic acid
SMILESNc1nc(-c2ccccc2)ncc1C(=O)O
InChIInChI=1S/C11H9N3O2/c12-9-8(11(15)16)6-13-10(14-9)7-4-2-1-3-5-7/h1-6H,(H,15,16)(H2,12,13,14)
InChIKeyLLDUUQXHKKSUJU-UHFFFAOYSA-N
XLogP1.42
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-phenylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-amino-2-phenylpyrimidine-5-carboxylic acid (CID 824700) is 4-amino-2-phenylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-amino-2-phenylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-amino-2-phenylpyrimidine-5-carboxylic acid is Nc1nc(-c2ccccc2)ncc1C(=O)O.
What is the InChIKey of 4-amino-2-phenylpyrimidine-5-carboxylic acid?
The InChIKey is LLDUUQXHKKSUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c12-9-8(11(15)16)6-13-10(14-9)7-4-2-1-3-5-7/h1-6H,(H,15,16)(H2,12,13,14).
What are the key properties of 4-amino-2-phenylpyrimidine-5-carboxylic acid?
4-amino-2-phenylpyrimidine-5-carboxylic acid has a molecular weight of 215.21 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-phenylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 824700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).