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

C14H19N5O2 — CID 7588298

IUPAC2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]acetamide
SMILESCCCc1cc(=O)n(CC(N)=O)c(-n2nc(C)cc2C)n1
InChIInChI=1S/C14H19N5O2/c1-4-5-11-7-13(21)18(8-12(15)20)14(16-11)19-10(3)6-9(2)17-19/h6-7H,4-5,8H2,1-3H3,(H2,15,20)
InChIKeyJAVUUEOHPHDBCZ-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.48
Rot. Bonds5

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

2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]acetamide (PubChem CID 7588298) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]acetamide
PubChem CID7588298
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]acetamide
SMILESCCCc1cc(=O)n(CC(N)=O)c(-n2nc(C)cc2C)n1
InChIInChI=1S/C14H19N5O2/c1-4-5-11-7-13(21)18(8-12(15)20)14(16-11)19-10(3)6-9(2)17-19/h6-7H,4-5,8H2,1-3H3,(H2,15,20)
InChIKeyJAVUUEOHPHDBCZ-UHFFFAOYSA-N
XLogP0.48
TPSA95.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.48
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]acetamide?
The IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]acetamide (CID 7588298) is 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]acetamide.
What is the SMILES notation for 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]acetamide?
The canonical SMILES for 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]acetamide is CCCc1cc(=O)n(CC(N)=O)c(-n2nc(C)cc2C)n1.
What is the InChIKey of 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]acetamide?
The InChIKey is JAVUUEOHPHDBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-4-5-11-7-13(21)18(8-12(15)20)14(16-11)19-10(3)6-9(2)17-19/h6-7H,4-5,8H2,1-3H3,(H2,15,20).
What are the key properties of 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]acetamide?
2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]acetamide has a molecular weight of 289.34 g/mol, XLogP of 0.48, 5 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]acetamide is sourced from PubChem (CID 7588298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).