7-chloro-6-(2,4,6-trifluorophenyl)-N-(1-trimethylsilylethyl)imidazo[1,2-a]pyrimidin-5-amine

C17H18ClF3N4Si — CID 11350065

IUPAC7-chloro-6-(2,4,6-trifluorophenyl)-N-(1-trimethylsilylethyl)imidazo[1,2-a]pyrimidin-5-amine
SMILESCC(Nc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2nccn12)[Si](C)(C)C
InChIInChI=1S/C17H18ClF3N4Si/c1-9(26(2,3)4)23-16-14(13-11(20)7-10(19)8-12(13)21)15(18)24-17-22-5-6-25(16)17/h5-9,23H,1-4H3
InChIKeyYZCPKXXGPBQCFK-UHFFFAOYSA-N
MW398.89 g/mol
LogP5.14
Rot. Bonds4

About 7-chloro-6-(2,4,6-trifluorophenyl)-N-(1-trimethylsilylethyl)imidazo[1,2-a]pyrimidin-5-amine

7-chloro-6-(2,4,6-trifluorophenyl)-N-(1-trimethylsilylethyl)imidazo[1,2-a]pyrimidin-5-amine (PubChem CID 11350065) has the molecular formula C17H18ClF3N4Si and a molecular weight of 398.89 g/mol. Its IUPAC name is 7-chloro-6-(2,4,6-trifluorophenyl)-N-(1-trimethylsilylethyl)imidazo[1,2-a]pyrimidin-5-amine.

Molecular Properties

Compound Name7-chloro-6-(2,4,6-trifluorophenyl)-N-(1-trimethylsilylethyl)imidazo[1,2-a]pyrimidin-5-amine
PubChem CID11350065
Molecular FormulaC17H18ClF3N4Si
Molecular Weight398.89 g/mol
Exact Mass398.09
IUPAC Name7-chloro-6-(2,4,6-trifluorophenyl)-N-(1-trimethylsilylethyl)imidazo[1,2-a]pyrimidin-5-amine
SMILESCC(Nc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2nccn12)[Si](C)(C)C
InChIInChI=1S/C17H18ClF3N4Si/c1-9(26(2,3)4)23-16-14(13-11(20)7-10(19)8-12(13)21)15(18)24-17-22-5-6-25(16)17/h5-9,23H,1-4H3
InChIKeyYZCPKXXGPBQCFK-UHFFFAOYSA-N
XLogP5.14
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.89
LogP ≤ 55.14
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

7-chloro-6-(2,4,6-trifluorophenyl)-N-(trimethylsilylmethyl)imidazo[1,2-a]pyrimidin-5-amine
CID 58941474
7-chloro-N-propan-2-yl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine
CID 87887705
7-chloro-6-[4-[3-(dimethylamino)propoxy]-2,6-difluorophenyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-a]pyrimidin-5-amine
CID 11518566
4-[7-chloro-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidin-5-yl]benzonitrile
CID 139975731
7-chloro-5-(2-methylpiperidin-1-yl)-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidine
CID 23018279
5-chloro-3-methyl-N-propan-2-yl-6-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 89343246
4-[7-methyl-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidin-5-yl]morpholine
CID 23018314
5-chloro-N-(2-deuterio-3-methylbutan-2-yl)-6-(2,6-difluoro-4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 165025635
5-chloro-6-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)triazolo[1,5-a]pyrimidin-7-amine
CID 149159512
5-chloro-N-cyclopropyl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 162646186
2-chloro-N-propan-2-yl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 141176842
5-chloro-6-(2,4,6-trifluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 15483676

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-(2,4,6-trifluorophenyl)-N-(1-trimethylsilylethyl)imidazo[1,2-a]pyrimidin-5-amine?
The IUPAC name of 7-chloro-6-(2,4,6-trifluorophenyl)-N-(1-trimethylsilylethyl)imidazo[1,2-a]pyrimidin-5-amine (CID 11350065) is 7-chloro-6-(2,4,6-trifluorophenyl)-N-(1-trimethylsilylethyl)imidazo[1,2-a]pyrimidin-5-amine.
What is the SMILES notation for 7-chloro-6-(2,4,6-trifluorophenyl)-N-(1-trimethylsilylethyl)imidazo[1,2-a]pyrimidin-5-amine?
The canonical SMILES for 7-chloro-6-(2,4,6-trifluorophenyl)-N-(1-trimethylsilylethyl)imidazo[1,2-a]pyrimidin-5-amine is CC(Nc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2nccn12)[Si](C)(C)C.
What is the InChIKey of 7-chloro-6-(2,4,6-trifluorophenyl)-N-(1-trimethylsilylethyl)imidazo[1,2-a]pyrimidin-5-amine?
The InChIKey is YZCPKXXGPBQCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF3N4Si/c1-9(26(2,3)4)23-16-14(13-11(20)7-10(19)8-12(13)21)15(18)24-17-22-5-6-25(16)17/h5-9,23H,1-4H3.
What are the key properties of 7-chloro-6-(2,4,6-trifluorophenyl)-N-(1-trimethylsilylethyl)imidazo[1,2-a]pyrimidin-5-amine?
7-chloro-6-(2,4,6-trifluorophenyl)-N-(1-trimethylsilylethyl)imidazo[1,2-a]pyrimidin-5-amine has a molecular weight of 398.89 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-(2,4,6-trifluorophenyl)-N-(1-trimethylsilylethyl)imidazo[1,2-a]pyrimidin-5-amine is sourced from PubChem (CID 11350065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).