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

C15H21N5O3 — CID 156885977

IUPAC2-imidazol-1-yl-N-[3-(2-methoxyethoxy)cyclobutyl]pyrimidine-4-carboxamide;molecular hydrogen
SMILESCOCCOC1CC(NC(=O)c2ccnc(-n3ccnc3)n2)C1.[H][H]
InChIInChI=1S/C15H19N5O3.H2/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);1H
InChIKeyJIJQNUUOMSMRME-UHFFFAOYSA-N
MW319.36 g/mol
LogP0.83
Rot. Bonds7

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

2-imidazol-1-yl-N-[3-(2-methoxyethoxy)cyclobutyl]pyrimidine-4-carboxamide;molecular hydrogen (PubChem CID 156885977) has the molecular formula C15H21N5O3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[3-(2-methoxyethoxy)cyclobutyl]pyrimidine-4-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[3-(2-methoxyethoxy)cyclobutyl]pyrimidine-4-carboxamide;molecular hydrogen
PubChem CID156885977
Molecular FormulaC15H21N5O3
Molecular Weight319.36 g/mol
Exact Mass319.16
IUPAC Name2-imidazol-1-yl-N-[3-(2-methoxyethoxy)cyclobutyl]pyrimidine-4-carboxamide;molecular hydrogen
SMILESCOCCOC1CC(NC(=O)c2ccnc(-n3ccnc3)n2)C1.[H][H]
InChIInChI=1S/C15H19N5O3.H2/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);1H
InChIKeyJIJQNUUOMSMRME-UHFFFAOYSA-N
XLogP0.83
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[3-(2-methoxyethoxy)cyclobutyl]pyrimidine-4-carboxamide;molecular hydrogen?
The IUPAC name of 2-imidazol-1-yl-N-[3-(2-methoxyethoxy)cyclobutyl]pyrimidine-4-carboxamide;molecular hydrogen (CID 156885977) is 2-imidazol-1-yl-N-[3-(2-methoxyethoxy)cyclobutyl]pyrimidine-4-carboxamide;molecular hydrogen.
What is the SMILES notation for 2-imidazol-1-yl-N-[3-(2-methoxyethoxy)cyclobutyl]pyrimidine-4-carboxamide;molecular hydrogen?
The canonical SMILES for 2-imidazol-1-yl-N-[3-(2-methoxyethoxy)cyclobutyl]pyrimidine-4-carboxamide;molecular hydrogen is COCCOC1CC(NC(=O)c2ccnc(-n3ccnc3)n2)C1.[H][H].
What is the InChIKey of 2-imidazol-1-yl-N-[3-(2-methoxyethoxy)cyclobutyl]pyrimidine-4-carboxamide;molecular hydrogen?
The InChIKey is JIJQNUUOMSMRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3.H2/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);1H.
What are the key properties of 2-imidazol-1-yl-N-[3-(2-methoxyethoxy)cyclobutyl]pyrimidine-4-carboxamide;molecular hydrogen?
2-imidazol-1-yl-N-[3-(2-methoxyethoxy)cyclobutyl]pyrimidine-4-carboxamide;molecular hydrogen has a molecular weight of 319.36 g/mol, XLogP of 0.83, 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;molecular hydrogen is sourced from PubChem (CID 156885977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).