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

C15H29N3OSi — CID 131746750

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methylpyrimidin-2-yl)butan-2-amine
SMILESCc1cnc(CC(N)CCO[Si](C)(C)C(C)(C)C)nc1
InChIInChI=1S/C15H29N3OSi/c1-12-10-17-14(18-11-12)9-13(16)7-8-19-20(5,6)15(2,3)4/h10-11,13H,7-9,16H2,1-6H3
InChIKeyYBMFNBAUNYPFQO-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.07
Rot. Bonds6

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

4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methylpyrimidin-2-yl)butan-2-amine (PubChem CID 131746750) has the molecular formula C15H29N3OSi and a molecular weight of 295.50 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methylpyrimidin-2-yl)butan-2-amine.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methylpyrimidin-2-yl)butan-2-amine
PubChem CID131746750
Molecular FormulaC15H29N3OSi
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methylpyrimidin-2-yl)butan-2-amine
SMILESCc1cnc(CC(N)CCO[Si](C)(C)C(C)(C)C)nc1
InChIInChI=1S/C15H29N3OSi/c1-12-10-17-14(18-11-12)9-13(16)7-8-19-20(5,6)15(2,3)4/h10-11,13H,7-9,16H2,1-6H3
InChIKeyYBMFNBAUNYPFQO-UHFFFAOYSA-N
XLogP3.07
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3,5-bis(trifluoromethyl)phenyl]-4-[tert-butyl(dimethyl)silyl]oxybutan-2-amine
CID 123426645
4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methylpyrimidin-2-yl)-2-nitrobutan-1-ol
CID 131746747
tert-butyl-dimethyl-[(E)-4-(5-methylpyrimidin-2-yl)but-3-enoxy]silane
CID 153429891
(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine
CID 125493831
2-[(3-bromo-5-methyl-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane
CID 163767942
ethyl (2S,3R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanoate
CID 11210874
[(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane
CID 125499133
ethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 101084181
3-[tert-butyl(dimethyl)silyl]oxy-1-(2,4-difluorophenyl)propan-1-amine
CID 77463781
O-[3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropyl]hydroxylamine
CID 71251740
[(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane
CID 10902026
2-amino-5-[tert-butyl(dimethyl)silyl]oxypentanoic acid
CID 175131179

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methylpyrimidin-2-yl)butan-2-amine?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methylpyrimidin-2-yl)butan-2-amine (CID 131746750) is 4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methylpyrimidin-2-yl)butan-2-amine.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methylpyrimidin-2-yl)butan-2-amine?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methylpyrimidin-2-yl)butan-2-amine is Cc1cnc(CC(N)CCO[Si](C)(C)C(C)(C)C)nc1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methylpyrimidin-2-yl)butan-2-amine?
The InChIKey is YBMFNBAUNYPFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3OSi/c1-12-10-17-14(18-11-12)9-13(16)7-8-19-20(5,6)15(2,3)4/h10-11,13H,7-9,16H2,1-6H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methylpyrimidin-2-yl)butan-2-amine?
4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methylpyrimidin-2-yl)butan-2-amine has a molecular weight of 295.50 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methylpyrimidin-2-yl)butan-2-amine is sourced from PubChem (CID 131746750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).