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

C17H23N5O3 — CID 156885842

IUPAC2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]pyrimidine-4-carboxamide
SMILESCOCCOC1CCC(NC(=O)c2ccnc(-n3ccnc3)n2)CC1
InChIInChI=1S/C17H23N5O3/c1-24-10-11-25-14-4-2-13(3-5-14)20-16(23)15-6-7-19-17(21-15)22-9-8-18-12-22/h6-9,12-14H,2-5,10-11H2,1H3,(H,20,23)
InChIKeyVRVSWYDJPDMHMT-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.37
Rot. Bonds7

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

2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]pyrimidine-4-carboxamide (PubChem CID 156885842) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]pyrimidine-4-carboxamide
PubChem CID156885842
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]pyrimidine-4-carboxamide
SMILESCOCCOC1CCC(NC(=O)c2ccnc(-n3ccnc3)n2)CC1
InChIInChI=1S/C17H23N5O3/c1-24-10-11-25-14-4-2-13(3-5-14)20-16(23)15-6-7-19-17(21-15)22-9-8-18-12-22/h6-9,12-14H,2-5,10-11H2,1H3,(H,20,23)
InChIKeyVRVSWYDJPDMHMT-UHFFFAOYSA-N
XLogP1.37
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.37
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-[4-(2-methoxyethoxy)cyclohexyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]pyrimidine-4-carboxamide (CID 156885842) is 2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]pyrimidine-4-carboxamide is COCCOC1CCC(NC(=O)c2ccnc(-n3ccnc3)n2)CC1.
What is the InChIKey of 2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]pyrimidine-4-carboxamide?
The InChIKey is VRVSWYDJPDMHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-24-10-11-25-14-4-2-13(3-5-14)20-16(23)15-6-7-19-17(21-15)22-9-8-18-12-22/h6-9,12-14H,2-5,10-11H2,1H3,(H,20,23).
What are the key properties of 2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]pyrimidine-4-carboxamide?
2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]pyrimidine-4-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 1.37, 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-[4-(2-methoxyethoxy)cyclohexyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 156885842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).