6-chloro-4-(oxolan-3-yloxy)-1-(2-trimethylsilylethoxymethyl)pyrimidin-2-one

C14H23ClN2O4Si — CID 123838783

IUPAC6-chloro-4-(oxolan-3-yloxy)-1-(2-trimethylsilylethoxymethyl)pyrimidin-2-one
SMILESC[Si](C)(C)CCOCn1c(Cl)cc(OC2CCOC2)nc1=O
InChIInChI=1S/C14H23ClN2O4Si/c1-22(2,3)7-6-20-10-17-12(15)8-13(16-14(17)18)21-11-4-5-19-9-11/h8,11H,4-7,9-10H2,1-3H3
InChIKeyYSKDIFRANCUDND-UHFFFAOYSA-N
MW346.89 g/mol
LogP2.38
Rot. Bonds7

About 6-chloro-4-(oxolan-3-yloxy)-1-(2-trimethylsilylethoxymethyl)pyrimidin-2-one

6-chloro-4-(oxolan-3-yloxy)-1-(2-trimethylsilylethoxymethyl)pyrimidin-2-one (PubChem CID 123838783) has the molecular formula C14H23ClN2O4Si and a molecular weight of 346.89 g/mol. Its IUPAC name is 6-chloro-4-(oxolan-3-yloxy)-1-(2-trimethylsilylethoxymethyl)pyrimidin-2-one.

Molecular Properties

Compound Name6-chloro-4-(oxolan-3-yloxy)-1-(2-trimethylsilylethoxymethyl)pyrimidin-2-one
PubChem CID123838783
Molecular FormulaC14H23ClN2O4Si
Molecular Weight346.89 g/mol
Exact Mass346.11
IUPAC Name6-chloro-4-(oxolan-3-yloxy)-1-(2-trimethylsilylethoxymethyl)pyrimidin-2-one
SMILESC[Si](C)(C)CCOCn1c(Cl)cc(OC2CCOC2)nc1=O
InChIInChI=1S/C14H23ClN2O4Si/c1-22(2,3)7-6-20-10-17-12(15)8-13(16-14(17)18)21-11-4-5-19-9-11/h8,11H,4-7,9-10H2,1-3H3
InChIKeyYSKDIFRANCUDND-UHFFFAOYSA-N
XLogP2.38
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.89
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[4-[6-chloro-2-[(3S)-oxolan-3-yl]oxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]phenyl]cyclohex-3-en-1-yl]ethanone
CID 162031918
7-(oxan-4-yloxy)-3-(2-trimethylsilylethoxymethyl)-1H-imidazo[4,5-b]pyridin-2-one
CID 141469854
4-(oxolan-3-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241695
6-chloro-N-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
CID 154698326
trimethyl-[2-[[4-(oxolan-3-yloxy)-3-phenylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
CID 146169583
N-ethyl-4-methyl-6-(oxolan-3-yloxy)pyrimidin-2-amine
CID 80876812
2-chloro-4-(oxan-4-yloxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 142416302
2-(oxolan-3-yloxy)-6-propylpyridine-4-carboxylic acid
CID 113379638
[2-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methanol
CID 140769621
4-bromo-6-(oxolan-3-yloxy)pyrimidin-2-amine
CID 131026861
2,7-dichloro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 156800676
4-fluoro-6-(oxolan-3-yloxy)pyrimidine
CID 115416188

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(oxolan-3-yloxy)-1-(2-trimethylsilylethoxymethyl)pyrimidin-2-one?
The IUPAC name of 6-chloro-4-(oxolan-3-yloxy)-1-(2-trimethylsilylethoxymethyl)pyrimidin-2-one (CID 123838783) is 6-chloro-4-(oxolan-3-yloxy)-1-(2-trimethylsilylethoxymethyl)pyrimidin-2-one.
What is the SMILES notation for 6-chloro-4-(oxolan-3-yloxy)-1-(2-trimethylsilylethoxymethyl)pyrimidin-2-one?
The canonical SMILES for 6-chloro-4-(oxolan-3-yloxy)-1-(2-trimethylsilylethoxymethyl)pyrimidin-2-one is C[Si](C)(C)CCOCn1c(Cl)cc(OC2CCOC2)nc1=O.
What is the InChIKey of 6-chloro-4-(oxolan-3-yloxy)-1-(2-trimethylsilylethoxymethyl)pyrimidin-2-one?
The InChIKey is YSKDIFRANCUDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O4Si/c1-22(2,3)7-6-20-10-17-12(15)8-13(16-14(17)18)21-11-4-5-19-9-11/h8,11H,4-7,9-10H2,1-3H3.
What are the key properties of 6-chloro-4-(oxolan-3-yloxy)-1-(2-trimethylsilylethoxymethyl)pyrimidin-2-one?
6-chloro-4-(oxolan-3-yloxy)-1-(2-trimethylsilylethoxymethyl)pyrimidin-2-one has a molecular weight of 346.89 g/mol, XLogP of 2.38, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(oxolan-3-yloxy)-1-(2-trimethylsilylethoxymethyl)pyrimidin-2-one is sourced from PubChem (CID 123838783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).