4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methylpyrimidin-2-yl)-2-nitrobutan-1-ol

C15H27N3O4Si — CID 131746747

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methylpyrimidin-2-yl)-2-nitrobutan-1-ol
SMILESCc1cnc(C(O)C(CCO[Si](C)(C)C(C)(C)C)[N+](=O)[O-])nc1
InChIInChI=1S/C15H27N3O4Si/c1-11-9-16-14(17-10-11)13(19)12(18(20)21)7-8-22-23(5,6)15(2,3)4/h9-10,12-13,19H,7-8H2,1-6H3
InChIKeyPLSRSCDIRZSIAQ-UHFFFAOYSA-N
MW341.48 g/mol
LogP2.88
Rot. Bonds7

About 4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methylpyrimidin-2-yl)-2-nitrobutan-1-ol

4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methylpyrimidin-2-yl)-2-nitrobutan-1-ol (PubChem CID 131746747) has the molecular formula C15H27N3O4Si and a molecular weight of 341.48 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methylpyrimidin-2-yl)-2-nitrobutan-1-ol.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methylpyrimidin-2-yl)-2-nitrobutan-1-ol
PubChem CID131746747
Molecular FormulaC15H27N3O4Si
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methylpyrimidin-2-yl)-2-nitrobutan-1-ol
SMILESCc1cnc(C(O)C(CCO[Si](C)(C)C(C)(C)C)[N+](=O)[O-])nc1
InChIInChI=1S/C15H27N3O4Si/c1-11-9-16-14(17-10-11)13(19)12(18(20)21)7-8-22-23(5,6)15(2,3)4/h9-10,12-13,19H,7-8H2,1-6H3
InChIKeyPLSRSCDIRZSIAQ-UHFFFAOYSA-N
XLogP2.88
TPSA98.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

CID 131746749
CID 131746749
CID 173627840
CID 173627840
CID 173627842
CID 173627842
CID 114855009
CID 114855009

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methylpyrimidin-2-yl)-2-nitrobutan-1-ol?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methylpyrimidin-2-yl)-2-nitrobutan-1-ol (CID 131746747) is 4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methylpyrimidin-2-yl)-2-nitrobutan-1-ol.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methylpyrimidin-2-yl)-2-nitrobutan-1-ol?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methylpyrimidin-2-yl)-2-nitrobutan-1-ol is Cc1cnc(C(O)C(CCO[Si](C)(C)C(C)(C)C)[N+](=O)[O-])nc1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methylpyrimidin-2-yl)-2-nitrobutan-1-ol?
The InChIKey is PLSRSCDIRZSIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O4Si/c1-11-9-16-14(17-10-11)13(19)12(18(20)21)7-8-22-23(5,6)15(2,3)4/h9-10,12-13,19H,7-8H2,1-6H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methylpyrimidin-2-yl)-2-nitrobutan-1-ol?
4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methylpyrimidin-2-yl)-2-nitrobutan-1-ol has a molecular weight of 341.48 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methylpyrimidin-2-yl)-2-nitrobutan-1-ol is sourced from PubChem (CID 131746747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).