2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(2-methoxyethyl)acetamide

C17H25N5O3 — CID 7588398

IUPAC2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCCCc1cc(=O)n(CC(=O)NCCOC)c(-n2nc(C)cc2C)n1
InChIInChI=1S/C17H25N5O3/c1-5-6-14-10-16(24)21(11-15(23)18-7-8-25-4)17(19-14)22-13(3)9-12(2)20-22/h9-10H,5-8,11H2,1-4H3,(H,18,23)
InChIKeyIZOMMLKCANEVMS-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.76
Rot. Bonds8

About 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(2-methoxyethyl)acetamide

2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 7588398) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID7588398
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCCCc1cc(=O)n(CC(=O)NCCOC)c(-n2nc(C)cc2C)n1
InChIInChI=1S/C17H25N5O3/c1-5-6-14-10-16(24)21(11-15(23)18-7-8-25-4)17(19-14)22-13(3)9-12(2)20-22/h9-10H,5-8,11H2,1-4H3,(H,18,23)
InChIKeyIZOMMLKCANEVMS-UHFFFAOYSA-N
XLogP0.76
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.76
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-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(2-methoxyethyl)acetamide (CID 7588398) is 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(2-methoxyethyl)acetamide is CCCc1cc(=O)n(CC(=O)NCCOC)c(-n2nc(C)cc2C)n1.
What is the InChIKey of 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is IZOMMLKCANEVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-5-6-14-10-16(24)21(11-15(23)18-7-8-25-4)17(19-14)22-13(3)9-12(2)20-22/h9-10H,5-8,11H2,1-4H3,(H,18,23).
What are the key properties of 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(2-methoxyethyl)acetamide?
2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 347.42 g/mol, XLogP of 0.76, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 7588398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).