6-(2-amino-3-chlorophenyl)-7-ethyl-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazo[1,2-a]pyrimidin-5-one

C21H29ClN4O2Si — CID 176873507

IUPAC6-(2-amino-3-chlorophenyl)-7-ethyl-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazo[1,2-a]pyrimidin-5-one
SMILESCCc1nc2n(COCC[Si](C)(C)C)c(C)cn2c(=O)c1-c1cccc(Cl)c1N
InChIInChI=1S/C21H29ClN4O2Si/c1-6-17-18(15-8-7-9-16(22)19(15)23)20(27)25-12-14(2)26(21(25)24-17)13-28-10-11-29(3,4)5/h7-9,12H,6,10-11,13,23H2,1-5H3
InChIKeySYLZVLIOCHOKRU-UHFFFAOYSA-N
MW433.03 g/mol
LogP4.58
Rot. Bonds7

About 6-(2-amino-3-chlorophenyl)-7-ethyl-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazo[1,2-a]pyrimidin-5-one

6-(2-amino-3-chlorophenyl)-7-ethyl-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazo[1,2-a]pyrimidin-5-one (PubChem CID 176873507) has the molecular formula C21H29ClN4O2Si and a molecular weight of 433.03 g/mol. Its IUPAC name is 6-(2-amino-3-chlorophenyl)-7-ethyl-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(2-amino-3-chlorophenyl)-7-ethyl-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazo[1,2-a]pyrimidin-5-one
PubChem CID176873507
Molecular FormulaC21H29ClN4O2Si
Molecular Weight433.03 g/mol
Exact Mass432.17
IUPAC Name6-(2-amino-3-chlorophenyl)-7-ethyl-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazo[1,2-a]pyrimidin-5-one
SMILESCCc1nc2n(COCC[Si](C)(C)C)c(C)cn2c(=O)c1-c1cccc(Cl)c1N
InChIInChI=1S/C21H29ClN4O2Si/c1-6-17-18(15-8-7-9-16(22)19(15)23)20(27)25-12-14(2)26(21(25)24-17)13-28-10-11-29(3,4)5/h7-9,12H,6,10-11,13,23H2,1-5H3
InChIKeySYLZVLIOCHOKRU-UHFFFAOYSA-N
XLogP4.58
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.03
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-3-chlorophenyl)-7-ethyl-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 6-(2-amino-3-chlorophenyl)-7-ethyl-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazo[1,2-a]pyrimidin-5-one (CID 176873507) is 6-(2-amino-3-chlorophenyl)-7-ethyl-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-(2-amino-3-chlorophenyl)-7-ethyl-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 6-(2-amino-3-chlorophenyl)-7-ethyl-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazo[1,2-a]pyrimidin-5-one is CCc1nc2n(COCC[Si](C)(C)C)c(C)cn2c(=O)c1-c1cccc(Cl)c1N.
What is the InChIKey of 6-(2-amino-3-chlorophenyl)-7-ethyl-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is SYLZVLIOCHOKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN4O2Si/c1-6-17-18(15-8-7-9-16(22)19(15)23)20(27)25-12-14(2)26(21(25)24-17)13-28-10-11-29(3,4)5/h7-9,12H,6,10-11,13,23H2,1-5H3.
What are the key properties of 6-(2-amino-3-chlorophenyl)-7-ethyl-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazo[1,2-a]pyrimidin-5-one?
6-(2-amino-3-chlorophenyl)-7-ethyl-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 433.03 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-3-chlorophenyl)-7-ethyl-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 176873507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).