5-amino-N-(2-ethoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide

C13H22N4O2 — CID 81074196

IUPAC5-amino-N-(2-ethoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCOCCN(C)C(=O)c1nc(C(C)C)ncc1N
InChIInChI=1S/C13H22N4O2/c1-5-19-7-6-17(4)13(18)11-10(14)8-15-12(16-11)9(2)3/h8-9H,5-7,14H2,1-4H3
InChIKeyWJBITWYXEBYWSV-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.29
Rot. Bonds6

About 5-amino-N-(2-ethoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide

5-amino-N-(2-ethoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 81074196) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-amino-N-(2-ethoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-ethoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID81074196
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name5-amino-N-(2-ethoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCOCCN(C)C(=O)c1nc(C(C)C)ncc1N
InChIInChI=1S/C13H22N4O2/c1-5-19-7-6-17(4)13(18)11-10(14)8-15-12(16-11)9(2)3/h8-9H,5-7,14H2,1-4H3
InChIKeyWJBITWYXEBYWSV-UHFFFAOYSA-N
XLogP1.29
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-N-(2-ethoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide 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-amino-N-(2-ethoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-amino-N-(2-ethoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide (CID 81074196) is 5-amino-N-(2-ethoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2-ethoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-N-(2-ethoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide is CCOCCN(C)C(=O)c1nc(C(C)C)ncc1N.
What is the InChIKey of 5-amino-N-(2-ethoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is WJBITWYXEBYWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-5-19-7-6-17(4)13(18)11-10(14)8-15-12(16-11)9(2)3/h8-9H,5-7,14H2,1-4H3.
What are the key properties of 5-amino-N-(2-ethoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide?
5-amino-N-(2-ethoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-ethoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 81074196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).