4-(5-fluoropyrimidin-4-yl)-2-methyl-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide

C19H26FN5OSi — CID 91007124

IUPAC4-(5-fluoropyrimidin-4-yl)-2-methyl-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide
SMILESCC1CN(c2ncncc2F)CCN1C(=O)Nc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C19H26FN5OSi/c1-14-12-24(18-17(20)11-21-13-22-18)9-10-25(14)19(26)23-15-5-7-16(8-6-15)27(2,3)4/h5-8,11,13-14H,9-10,12H2,1-4H3,(H,23,26)
InChIKeyHTJNTDSLUVIQMU-UHFFFAOYSA-N
MW387.54 g/mol
LogP2.90
Rot. Bonds3

About 4-(5-fluoropyrimidin-4-yl)-2-methyl-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide

4-(5-fluoropyrimidin-4-yl)-2-methyl-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide (PubChem CID 91007124) has the molecular formula C19H26FN5OSi and a molecular weight of 387.54 g/mol. Its IUPAC name is 4-(5-fluoropyrimidin-4-yl)-2-methyl-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-fluoropyrimidin-4-yl)-2-methyl-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide
PubChem CID91007124
Molecular FormulaC19H26FN5OSi
Molecular Weight387.54 g/mol
Exact Mass387.19
IUPAC Name4-(5-fluoropyrimidin-4-yl)-2-methyl-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide
SMILESCC1CN(c2ncncc2F)CCN1C(=O)Nc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C19H26FN5OSi/c1-14-12-24(18-17(20)11-21-13-22-18)9-10-25(14)19(26)23-15-5-7-16(8-6-15)27(2,3)4/h5-8,11,13-14H,9-10,12H2,1-4H3,(H,23,26)
InChIKeyHTJNTDSLUVIQMU-UHFFFAOYSA-N
XLogP2.90
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.54
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoropyrimidin-4-yl)-2-methyl-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(5-fluoropyrimidin-4-yl)-2-methyl-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide (CID 91007124) is 4-(5-fluoropyrimidin-4-yl)-2-methyl-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-fluoropyrimidin-4-yl)-2-methyl-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(5-fluoropyrimidin-4-yl)-2-methyl-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide is CC1CN(c2ncncc2F)CCN1C(=O)Nc1ccc([Si](C)(C)C)cc1.
What is the InChIKey of 4-(5-fluoropyrimidin-4-yl)-2-methyl-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide?
The InChIKey is HTJNTDSLUVIQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5OSi/c1-14-12-24(18-17(20)11-21-13-22-18)9-10-25(14)19(26)23-15-5-7-16(8-6-15)27(2,3)4/h5-8,11,13-14H,9-10,12H2,1-4H3,(H,23,26).
What are the key properties of 4-(5-fluoropyrimidin-4-yl)-2-methyl-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide?
4-(5-fluoropyrimidin-4-yl)-2-methyl-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide has a molecular weight of 387.54 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoropyrimidin-4-yl)-2-methyl-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 91007124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).