N-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(6-oxopyrimidin-1-yl)acetyl]amino]acetamide

C25H29FN4O4Si — CID 140781164

IUPACN-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(6-oxopyrimidin-1-yl)acetyl]amino]acetamide
SMILESCOCc1ccc(C(NC(=O)Cn2cnccc2=O)C(=O)Nc2ccc([Si](C)(C)C)c(F)c2)cc1
InChIInChI=1S/C25H29FN4O4Si/c1-34-15-17-5-7-18(8-6-17)24(29-22(31)14-30-16-27-12-11-23(30)32)25(33)28-19-9-10-21(20(26)13-19)35(2,3)4/h5-13,16,24H,14-15H2,1-4H3,(H,28,33)(H,29,31)
InChIKeyMHHGUMSEAHQWBP-UHFFFAOYSA-N
MW496.62 g/mol
LogP2.57
Rot. Bonds9

About N-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(6-oxopyrimidin-1-yl)acetyl]amino]acetamide

N-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(6-oxopyrimidin-1-yl)acetyl]amino]acetamide (PubChem CID 140781164) has the molecular formula C25H29FN4O4Si and a molecular weight of 496.62 g/mol. Its IUPAC name is N-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(6-oxopyrimidin-1-yl)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(6-oxopyrimidin-1-yl)acetyl]amino]acetamide
PubChem CID140781164
Molecular FormulaC25H29FN4O4Si
Molecular Weight496.62 g/mol
Exact Mass496.19
IUPAC NameN-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(6-oxopyrimidin-1-yl)acetyl]amino]acetamide
SMILESCOCc1ccc(C(NC(=O)Cn2cnccc2=O)C(=O)Nc2ccc([Si](C)(C)C)c(F)c2)cc1
InChIInChI=1S/C25H29FN4O4Si/c1-34-15-17-5-7-18(8-6-17)24(29-22(31)14-30-16-27-12-11-23(30)32)25(33)28-19-9-10-21(20(26)13-19)35(2,3)4/h5-13,16,24H,14-15H2,1-4H3,(H,28,33)(H,29,31)
InChIKeyMHHGUMSEAHQWBP-UHFFFAOYSA-N
XLogP2.57
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.62
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(6-oxopyrimidin-1-yl)acetyl]amino]acetamide?
The IUPAC name of N-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(6-oxopyrimidin-1-yl)acetyl]amino]acetamide (CID 140781164) is N-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(6-oxopyrimidin-1-yl)acetyl]amino]acetamide.
What is the SMILES notation for N-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(6-oxopyrimidin-1-yl)acetyl]amino]acetamide?
The canonical SMILES for N-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(6-oxopyrimidin-1-yl)acetyl]amino]acetamide is COCc1ccc(C(NC(=O)Cn2cnccc2=O)C(=O)Nc2ccc([Si](C)(C)C)c(F)c2)cc1.
What is the InChIKey of N-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(6-oxopyrimidin-1-yl)acetyl]amino]acetamide?
The InChIKey is MHHGUMSEAHQWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O4Si/c1-34-15-17-5-7-18(8-6-17)24(29-22(31)14-30-16-27-12-11-23(30)32)25(33)28-19-9-10-21(20(26)13-19)35(2,3)4/h5-13,16,24H,14-15H2,1-4H3,(H,28,33)(H,29,31).
What are the key properties of N-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(6-oxopyrimidin-1-yl)acetyl]amino]acetamide?
N-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(6-oxopyrimidin-1-yl)acetyl]amino]acetamide has a molecular weight of 496.62 g/mol, XLogP of 2.57, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(6-oxopyrimidin-1-yl)acetyl]amino]acetamide is sourced from PubChem (CID 140781164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).