2-imidazol-1-yl-N-[3-(2-methoxyethoxy)cyclobutyl]pyrimidine-4-carboxamide

C15H19N5O3 — CID 156885778

IUPAC2-imidazol-1-yl-N-[3-(2-methoxyethoxy)cyclobutyl]pyrimidine-4-carboxamide
SMILESCOCCOC1CC(NC(=O)c2ccnc(-n3ccnc3)n2)C1
InChIInChI=1S/C15H19N5O3/c1-22-6-7-23-12-8-11(9-12)18-14(21)13-2-3-17-15(19-13)20-5-4-16-10-20/h2-5,10-12H,6-9H2,1H3,(H,18,21)
InChIKeyYPMORKSNNNBQNK-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.59
Rot. Bonds7

About 2-imidazol-1-yl-N-[3-(2-methoxyethoxy)cyclobutyl]pyrimidine-4-carboxamide

2-imidazol-1-yl-N-[3-(2-methoxyethoxy)cyclobutyl]pyrimidine-4-carboxamide (PubChem CID 156885778) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[3-(2-methoxyethoxy)cyclobutyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[3-(2-methoxyethoxy)cyclobutyl]pyrimidine-4-carboxamide
PubChem CID156885778
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name2-imidazol-1-yl-N-[3-(2-methoxyethoxy)cyclobutyl]pyrimidine-4-carboxamide
SMILESCOCCOC1CC(NC(=O)c2ccnc(-n3ccnc3)n2)C1
InChIInChI=1S/C15H19N5O3/c1-22-6-7-23-12-8-11(9-12)18-14(21)13-2-3-17-15(19-13)20-5-4-16-10-20/h2-5,10-12H,6-9H2,1H3,(H,18,21)
InChIKeyYPMORKSNNNBQNK-UHFFFAOYSA-N
XLogP0.59
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-imidazol-1-yl-N-[3-(2-methoxyethoxy)cyclobutyl]pyrimidine-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 2-imidazol-1-yl-N-[3-(2-methoxyethoxy)cyclobutyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-imidazol-1-yl-N-[3-(2-methoxyethoxy)cyclobutyl]pyrimidine-4-carboxamide (CID 156885778) is 2-imidazol-1-yl-N-[3-(2-methoxyethoxy)cyclobutyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-imidazol-1-yl-N-[3-(2-methoxyethoxy)cyclobutyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-imidazol-1-yl-N-[3-(2-methoxyethoxy)cyclobutyl]pyrimidine-4-carboxamide is COCCOC1CC(NC(=O)c2ccnc(-n3ccnc3)n2)C1.
What is the InChIKey of 2-imidazol-1-yl-N-[3-(2-methoxyethoxy)cyclobutyl]pyrimidine-4-carboxamide?
The InChIKey is YPMORKSNNNBQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-22-6-7-23-12-8-11(9-12)18-14(21)13-2-3-17-15(19-13)20-5-4-16-10-20/h2-5,10-12H,6-9H2,1H3,(H,18,21).
What are the key properties of 2-imidazol-1-yl-N-[3-(2-methoxyethoxy)cyclobutyl]pyrimidine-4-carboxamide?
2-imidazol-1-yl-N-[3-(2-methoxyethoxy)cyclobutyl]pyrimidine-4-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 0.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[3-(2-methoxyethoxy)cyclobutyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 156885778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).