2-amino-4-ethylpyrimidine-5-carboxylic acid

C7H9N3O2 — CID 14639223

IUPAC2-amino-4-ethylpyrimidine-5-carboxylic acid
SMILESCCc1nc(N)ncc1C(=O)O
InChIInChI=1S/C7H9N3O2/c1-2-5-4(6(11)12)3-9-7(8)10-5/h3H,2H2,1H3,(H,11,12)(H2,8,9,10)
InChIKeyLUWFYFMJFQBYFG-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.32
Rot. Bonds2

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

2-amino-4-ethylpyrimidine-5-carboxylic acid (PubChem CID 14639223) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 2-amino-4-ethylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-ethylpyrimidine-5-carboxylic acid
PubChem CID14639223
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name2-amino-4-ethylpyrimidine-5-carboxylic acid
SMILESCCc1nc(N)ncc1C(=O)O
InChIInChI=1S/C7H9N3O2/c1-2-5-4(6(11)12)3-9-7(8)10-5/h3H,2H2,1H3,(H,11,12)(H2,8,9,10)
InChIKeyLUWFYFMJFQBYFG-UHFFFAOYSA-N
XLogP0.32
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-amino-4-ethylpyrimidine-5-carboxylic acid (CID 14639223) is 2-amino-4-ethylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-amino-4-ethylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-amino-4-ethylpyrimidine-5-carboxylic acid is CCc1nc(N)ncc1C(=O)O.
What is the InChIKey of 2-amino-4-ethylpyrimidine-5-carboxylic acid?
The InChIKey is LUWFYFMJFQBYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-2-5-4(6(11)12)3-9-7(8)10-5/h3H,2H2,1H3,(H,11,12)(H2,8,9,10).
What are the key properties of 2-amino-4-ethylpyrimidine-5-carboxylic acid?
2-amino-4-ethylpyrimidine-5-carboxylic acid has a molecular weight of 167.17 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 14639223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).