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

C17H25N5O2 — CID 7588392

IUPAC2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1c(-n2nc(C)cc2C)nc(CCC)cc1=O
InChIInChI=1S/C17H25N5O2/c1-5-7-14-10-16(24)21(11-15(23)18-8-6-2)17(19-14)22-13(4)9-12(3)20-22/h9-10H,5-8,11H2,1-4H3,(H,18,23)
InChIKeyXGXPFLMXPZEGSM-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.52
Rot. Bonds7

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

2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-propylacetamide (PubChem CID 7588392) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-propylacetamide
PubChem CID7588392
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1c(-n2nc(C)cc2C)nc(CCC)cc1=O
InChIInChI=1S/C17H25N5O2/c1-5-7-14-10-16(24)21(11-15(23)18-8-6-2)17(19-14)22-13(4)9-12(3)20-22/h9-10H,5-8,11H2,1-4H3,(H,18,23)
InChIKeyXGXPFLMXPZEGSM-UHFFFAOYSA-N
XLogP1.52
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-propylacetamide?
The IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-propylacetamide (CID 7588392) is 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-propylacetamide is CCCNC(=O)Cn1c(-n2nc(C)cc2C)nc(CCC)cc1=O.
What is the InChIKey of 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-propylacetamide?
The InChIKey is XGXPFLMXPZEGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-5-7-14-10-16(24)21(11-15(23)18-8-6-2)17(19-14)22-13(4)9-12(3)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-propylacetamide?
2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-propylacetamide has a molecular weight of 331.42 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 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-propylacetamide is sourced from PubChem (CID 7588392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).