5-(2-acetamidoethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid

C12H18N4O3 — CID 62086858

IUPAC5-(2-acetamidoethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(=O)NCCNc1cnc(C(C)C)nc1C(=O)O
InChIInChI=1S/C12H18N4O3/c1-7(2)11-15-6-9(10(16-11)12(18)19)14-5-4-13-8(3)17/h6-7,14H,4-5H2,1-3H3,(H,13,17)(H,18,19)
InChIKeyRUEYPHSQZVJVTK-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.85
Rot. Bonds6

About 5-(2-acetamidoethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid

5-(2-acetamidoethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 62086858) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-(2-acetamidoethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-acetamidoethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID62086858
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name5-(2-acetamidoethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(=O)NCCNc1cnc(C(C)C)nc1C(=O)O
InChIInChI=1S/C12H18N4O3/c1-7(2)11-15-6-9(10(16-11)12(18)19)14-5-4-13-8(3)17/h6-7,14H,4-5H2,1-3H3,(H,13,17)(H,18,19)
InChIKeyRUEYPHSQZVJVTK-UHFFFAOYSA-N
XLogP0.85
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(2-acetamidoethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidoethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-(2-acetamidoethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 62086858) is 5-(2-acetamidoethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-(2-acetamidoethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-(2-acetamidoethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid is CC(=O)NCCNc1cnc(C(C)C)nc1C(=O)O.
What is the InChIKey of 5-(2-acetamidoethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is RUEYPHSQZVJVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-7(2)11-15-6-9(10(16-11)12(18)19)14-5-4-13-8(3)17/h6-7,14H,4-5H2,1-3H3,(H,13,17)(H,18,19).
What are the key properties of 5-(2-acetamidoethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid?
5-(2-acetamidoethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamidoethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 62086858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).