1-[(1-dimethylsilyloxy-4,4-dimethylpentoxy)methyl]-5-methylpyrimidine-2,4-dione

C15H28N2O4Si — CID 173352961

IUPAC1-[(1-dimethylsilyloxy-4,4-dimethylpentoxy)methyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(COC(CCC(C)(C)C)O[SiH](C)C)c(=O)[nH]c1=O
InChIInChI=1S/C15H28N2O4Si/c1-11-9-17(14(19)16-13(11)18)10-20-12(21-22(5)6)7-8-15(2,3)4/h9,12,22H,7-8,10H2,1-6H3,(H,16,18,19)
InChIKeyFTJHGLPHMFNNGF-UHFFFAOYSA-N
MW328.49 g/mol
LogP1.97
Rot. Bonds7

About 1-[(1-dimethylsilyloxy-4,4-dimethylpentoxy)methyl]-5-methylpyrimidine-2,4-dione

1-[(1-dimethylsilyloxy-4,4-dimethylpentoxy)methyl]-5-methylpyrimidine-2,4-dione (PubChem CID 173352961) has the molecular formula C15H28N2O4Si and a molecular weight of 328.49 g/mol. Its IUPAC name is 1-[(1-dimethylsilyloxy-4,4-dimethylpentoxy)methyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(1-dimethylsilyloxy-4,4-dimethylpentoxy)methyl]-5-methylpyrimidine-2,4-dione
PubChem CID173352961
Molecular FormulaC15H28N2O4Si
Molecular Weight328.49 g/mol
Exact Mass328.18
IUPAC Name1-[(1-dimethylsilyloxy-4,4-dimethylpentoxy)methyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(COC(CCC(C)(C)C)O[SiH](C)C)c(=O)[nH]c1=O
InChIInChI=1S/C15H28N2O4Si/c1-11-9-17(14(19)16-13(11)18)10-20-12(21-22(5)6)7-8-15(2,3)4/h9,12,22H,7-8,10H2,1-6H3,(H,16,18,19)
InChIKeyFTJHGLPHMFNNGF-UHFFFAOYSA-N
XLogP1.97
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-methyl-1-[(2S)-2,4,4-trimethylpentyl]pyrimidine-2,4-dione
CID 170680091
1-[(4-fluoro-1-hydroxy-3-methyl-3-sulfanylbutan-2-yl)oxymethyl]-5-methylpyrimidine-2,4-dione
CID 88616565
1-[(2-hydroxy-1-phenylethoxy)methyl]-5-methylpyrimidine-2,4-dione
CID 10423568
(2S)-2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]butanoic acid
CID 10574793
1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione
CID 24752409
tert-butyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate;ethane
CID 144939598
amino-dimethyl-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]azanium
CID 20676015
1-[(E)-but-2-enyl]-5-methylpyrimidine-2,4-dione
CID 65438358
5-methyl-1-(2,2,3-trihydroxybutyl)pyrimidine-2,4-dione
CID 69344214
1-[2-[tert-butyl(diphenyl)silyl]oxyprop-2-enoxymethyl]-5-methylpyrimidine-2,4-dione
CID 101263285
1-(2-ethylsulfanylethoxymethyl)-5-methylpyrimidine-2,4-dione
CID 11507020
1-(2,2-difluoro-2-phenylethyl)-5-methylpyrimidine-2,4-dione
CID 116790659

Frequently Asked Questions

What is the IUPAC name of 1-[(1-dimethylsilyloxy-4,4-dimethylpentoxy)methyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(1-dimethylsilyloxy-4,4-dimethylpentoxy)methyl]-5-methylpyrimidine-2,4-dione (CID 173352961) is 1-[(1-dimethylsilyloxy-4,4-dimethylpentoxy)methyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(1-dimethylsilyloxy-4,4-dimethylpentoxy)methyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(1-dimethylsilyloxy-4,4-dimethylpentoxy)methyl]-5-methylpyrimidine-2,4-dione is Cc1cn(COC(CCC(C)(C)C)O[SiH](C)C)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(1-dimethylsilyloxy-4,4-dimethylpentoxy)methyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is FTJHGLPHMFNNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4Si/c1-11-9-17(14(19)16-13(11)18)10-20-12(21-22(5)6)7-8-15(2,3)4/h9,12,22H,7-8,10H2,1-6H3,(H,16,18,19).
What are the key properties of 1-[(1-dimethylsilyloxy-4,4-dimethylpentoxy)methyl]-5-methylpyrimidine-2,4-dione?
1-[(1-dimethylsilyloxy-4,4-dimethylpentoxy)methyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 328.49 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-dimethylsilyloxy-4,4-dimethylpentoxy)methyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 173352961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).