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

C23H29N5O2 — CID 7588316

IUPAC2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCCCc1cc(=O)n(CC(=O)Nc2c(C)cc(C)cc2C)c(-n2nc(C)cc2C)n1
InChIInChI=1S/C23H29N5O2/c1-7-8-19-12-21(30)27(23(24-19)28-18(6)11-17(5)26-28)13-20(29)25-22-15(3)9-14(2)10-16(22)4/h9-12H,7-8,13H2,1-6H3,(H,25,29)
InChIKeyXWPFRKKUBXJVPN-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.56
Rot. Bonds6

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

2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 7588316) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID7588316
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCCCc1cc(=O)n(CC(=O)Nc2c(C)cc(C)cc2C)c(-n2nc(C)cc2C)n1
InChIInChI=1S/C23H29N5O2/c1-7-8-19-12-21(30)27(23(24-19)28-18(6)11-17(5)26-28)13-20(29)25-22-15(3)9-14(2)10-16(22)4/h9-12H,7-8,13H2,1-6H3,(H,25,29)
InChIKeyXWPFRKKUBXJVPN-UHFFFAOYSA-N
XLogP3.56
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.56
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-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide (CID 7588316) is 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide is CCCc1cc(=O)n(CC(=O)Nc2c(C)cc(C)cc2C)c(-n2nc(C)cc2C)n1.
What is the InChIKey of 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is XWPFRKKUBXJVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-7-8-19-12-21(30)27(23(24-19)28-18(6)11-17(5)26-28)13-20(29)25-22-15(3)9-14(2)10-16(22)4/h9-12H,7-8,13H2,1-6H3,(H,25,29).
What are the key properties of 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 407.52 g/mol, XLogP of 3.56, 6 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-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 7588316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).