1-[3-[bis(chloromethyl)-methylsilyl]propyl]pyrimidine-2,4-dione

C10H16Cl2N2O2Si — CID 10541882

IUPAC1-[3-[bis(chloromethyl)-methylsilyl]propyl]pyrimidine-2,4-dione
SMILESC[Si](CCl)(CCl)CCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H16Cl2N2O2Si/c1-17(7-11,8-12)6-2-4-14-5-3-9(15)13-10(14)16/h3,5H,2,4,6-8H2,1H3,(H,13,15,16)
InChIKeyMRAPCHRRUIBWLS-UHFFFAOYSA-N
MW295.24 g/mol
LogP1.56
Rot. Bonds6

About 1-[3-[bis(chloromethyl)-methylsilyl]propyl]pyrimidine-2,4-dione

1-[3-[bis(chloromethyl)-methylsilyl]propyl]pyrimidine-2,4-dione (PubChem CID 10541882) has the molecular formula C10H16Cl2N2O2Si and a molecular weight of 295.24 g/mol. Its IUPAC name is 1-[3-[bis(chloromethyl)-methylsilyl]propyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-[bis(chloromethyl)-methylsilyl]propyl]pyrimidine-2,4-dione
PubChem CID10541882
Molecular FormulaC10H16Cl2N2O2Si
Molecular Weight295.24 g/mol
Exact Mass294.04
IUPAC Name1-[3-[bis(chloromethyl)-methylsilyl]propyl]pyrimidine-2,4-dione
SMILESC[Si](CCl)(CCl)CCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H16Cl2N2O2Si/c1-17(7-11,8-12)6-2-4-14-5-3-9(15)13-10(14)16/h3,5H,2,4,6-8H2,1H3,(H,13,15,16)
InChIKeyMRAPCHRRUIBWLS-UHFFFAOYSA-N
XLogP1.56
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[8-[diethoxy(methyl)silyl]octyl]pyrimidine-2,4-dione
CID 169034393
1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione
CID 57209539
1-butylpyrimidine-2,4-dione;methanol;palladium
CID 178051996
4-(2,4-dioxopyrimidin-1-yl)butanoate
CID 6954146
1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione
CID 63810428
1-(5-hydroxyhexyl)pyrimidine-2,4-dione
CID 23287951
1-(2-aminoethyl)pyrimidine-2,4-dione
CID 10964739
1-(2-fluoroethyl)pyrimidine-2,4-dione
CID 80694010
1-(selanylmethyl)pyrimidine-2,4-dione
CID 173469434
1-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione
CID 63811231
8-(2,4-dioxopyrimidin-1-yl)octyl propanoate
CID 169034530
1-(6-triphenylsilyloxyhexyl)pyrimidine-2,4-dione
CID 11655779

Frequently Asked Questions

What is the IUPAC name of 1-[3-[bis(chloromethyl)-methylsilyl]propyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-[bis(chloromethyl)-methylsilyl]propyl]pyrimidine-2,4-dione (CID 10541882) is 1-[3-[bis(chloromethyl)-methylsilyl]propyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-[bis(chloromethyl)-methylsilyl]propyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-[bis(chloromethyl)-methylsilyl]propyl]pyrimidine-2,4-dione is C[Si](CCl)(CCl)CCCn1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[3-[bis(chloromethyl)-methylsilyl]propyl]pyrimidine-2,4-dione?
The InChIKey is MRAPCHRRUIBWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl2N2O2Si/c1-17(7-11,8-12)6-2-4-14-5-3-9(15)13-10(14)16/h3,5H,2,4,6-8H2,1H3,(H,13,15,16).
What are the key properties of 1-[3-[bis(chloromethyl)-methylsilyl]propyl]pyrimidine-2,4-dione?
1-[3-[bis(chloromethyl)-methylsilyl]propyl]pyrimidine-2,4-dione has a molecular weight of 295.24 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[bis(chloromethyl)-methylsilyl]propyl]pyrimidine-2,4-dione is sourced from PubChem (CID 10541882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).