6-ethyl-5-nitro-N-[1-(4-trimethylsilylphenyl)ethyl]pyrimidin-4-amine

C17H24N4O2Si — CID 67884353

IUPAC6-ethyl-5-nitro-N-[1-(4-trimethylsilylphenyl)ethyl]pyrimidin-4-amine
SMILESCCc1ncnc(NC(C)c2ccc([Si](C)(C)C)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C17H24N4O2Si/c1-6-15-16(21(22)23)17(19-11-18-15)20-12(2)13-7-9-14(10-8-13)24(3,4)5/h7-12H,6H2,1-5H3,(H,18,19,20)
InChIKeyVHMSHSGWCANAAG-UHFFFAOYSA-N
MW344.49 g/mol
LogP3.67
Rot. Bonds6

About 6-ethyl-5-nitro-N-[1-(4-trimethylsilylphenyl)ethyl]pyrimidin-4-amine

6-ethyl-5-nitro-N-[1-(4-trimethylsilylphenyl)ethyl]pyrimidin-4-amine (PubChem CID 67884353) has the molecular formula C17H24N4O2Si and a molecular weight of 344.49 g/mol. Its IUPAC name is 6-ethyl-5-nitro-N-[1-(4-trimethylsilylphenyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-nitro-N-[1-(4-trimethylsilylphenyl)ethyl]pyrimidin-4-amine
PubChem CID67884353
Molecular FormulaC17H24N4O2Si
Molecular Weight344.49 g/mol
Exact Mass344.17
IUPAC Name6-ethyl-5-nitro-N-[1-(4-trimethylsilylphenyl)ethyl]pyrimidin-4-amine
SMILESCCc1ncnc(NC(C)c2ccc([Si](C)(C)C)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C17H24N4O2Si/c1-6-15-16(21(22)23)17(19-11-18-15)20-12(2)13-7-9-14(10-8-13)24(3,4)5/h7-12H,6H2,1-5H3,(H,18,19,20)
InChIKeyVHMSHSGWCANAAG-UHFFFAOYSA-N
XLogP3.67
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-nitro-N-[1-(4-trimethylsilylphenyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-nitro-N-[1-(4-trimethylsilylphenyl)ethyl]pyrimidin-4-amine (CID 67884353) is 6-ethyl-5-nitro-N-[1-(4-trimethylsilylphenyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-nitro-N-[1-(4-trimethylsilylphenyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-nitro-N-[1-(4-trimethylsilylphenyl)ethyl]pyrimidin-4-amine is CCc1ncnc(NC(C)c2ccc([Si](C)(C)C)cc2)c1[N+](=O)[O-].
What is the InChIKey of 6-ethyl-5-nitro-N-[1-(4-trimethylsilylphenyl)ethyl]pyrimidin-4-amine?
The InChIKey is VHMSHSGWCANAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2Si/c1-6-15-16(21(22)23)17(19-11-18-15)20-12(2)13-7-9-14(10-8-13)24(3,4)5/h7-12H,6H2,1-5H3,(H,18,19,20).
What are the key properties of 6-ethyl-5-nitro-N-[1-(4-trimethylsilylphenyl)ethyl]pyrimidin-4-amine?
6-ethyl-5-nitro-N-[1-(4-trimethylsilylphenyl)ethyl]pyrimidin-4-amine has a molecular weight of 344.49 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-nitro-N-[1-(4-trimethylsilylphenyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 67884353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).