2-amino-4-propylpyrimidine-5-carboxylic acid

C8H11N3O2 — CID 14639224

IUPAC2-amino-4-propylpyrimidine-5-carboxylic acid
SMILESCCCc1nc(N)ncc1C(=O)O
InChIInChI=1S/C8H11N3O2/c1-2-3-6-5(7(12)13)4-10-8(9)11-6/h4H,2-3H2,1H3,(H,12,13)(H2,9,10,11)
InChIKeyFYGIAJGIHGLMOC-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.71
Rot. Bonds3

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

2-amino-4-propylpyrimidine-5-carboxylic acid (PubChem CID 14639224) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-amino-4-propylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-propylpyrimidine-5-carboxylic acid
PubChem CID14639224
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-amino-4-propylpyrimidine-5-carboxylic acid
SMILESCCCc1nc(N)ncc1C(=O)O
InChIInChI=1S/C8H11N3O2/c1-2-3-6-5(7(12)13)4-10-8(9)11-6/h4H,2-3H2,1H3,(H,12,13)(H2,9,10,11)
InChIKeyFYGIAJGIHGLMOC-UHFFFAOYSA-N
XLogP0.71
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-propylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-amino-4-propylpyrimidine-5-carboxylic acid (CID 14639224) is 2-amino-4-propylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-amino-4-propylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-amino-4-propylpyrimidine-5-carboxylic acid is CCCc1nc(N)ncc1C(=O)O.
What is the InChIKey of 2-amino-4-propylpyrimidine-5-carboxylic acid?
The InChIKey is FYGIAJGIHGLMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-2-3-6-5(7(12)13)4-10-8(9)11-6/h4H,2-3H2,1H3,(H,12,13)(H2,9,10,11).
What are the key properties of 2-amino-4-propylpyrimidine-5-carboxylic acid?
2-amino-4-propylpyrimidine-5-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-propylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 14639224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).