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

C16H16ClF3N4Si — CID 58941474

IUPAC7-chloro-6-(2,4,6-trifluorophenyl)-N-(trimethylsilylmethyl)imidazo[1,2-a]pyrimidin-5-amine
SMILESC[Si](C)(C)CNc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2nccn12
InChIInChI=1S/C16H16ClF3N4Si/c1-25(2,3)8-22-15-13(12-10(19)6-9(18)7-11(12)20)14(17)23-16-21-4-5-24(15)16/h4-7,22H,8H2,1-3H3
InChIKeyTVGDRAIPNKEZGB-UHFFFAOYSA-N
MW384.87 g/mol
LogP4.76
Rot. Bonds4

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

7-chloro-6-(2,4,6-trifluorophenyl)-N-(trimethylsilylmethyl)imidazo[1,2-a]pyrimidin-5-amine (PubChem CID 58941474) has the molecular formula C16H16ClF3N4Si and a molecular weight of 384.87 g/mol. Its IUPAC name is 7-chloro-6-(2,4,6-trifluorophenyl)-N-(trimethylsilylmethyl)imidazo[1,2-a]pyrimidin-5-amine.

Molecular Properties

Compound Name7-chloro-6-(2,4,6-trifluorophenyl)-N-(trimethylsilylmethyl)imidazo[1,2-a]pyrimidin-5-amine
PubChem CID58941474
Molecular FormulaC16H16ClF3N4Si
Molecular Weight384.87 g/mol
Exact Mass384.08
IUPAC Name7-chloro-6-(2,4,6-trifluorophenyl)-N-(trimethylsilylmethyl)imidazo[1,2-a]pyrimidin-5-amine
SMILESC[Si](C)(C)CNc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2nccn12
InChIInChI=1S/C16H16ClF3N4Si/c1-25(2,3)8-22-15-13(12-10(19)6-9(18)7-11(12)20)14(17)23-16-21-4-5-24(15)16/h4-7,22H,8H2,1-3H3
InChIKeyTVGDRAIPNKEZGB-UHFFFAOYSA-N
XLogP4.76
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 54.76
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-(1-trimethylsilylethyl)imidazo[1,2-a]pyrimidin-5-amine
CID 11350065
7-chloro-5-(2-methylpiperidin-1-yl)-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidine
CID 23018279
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-N-propan-2-yl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine
CID 87887705
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
4-[7-methyl-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidin-5-yl]morpholine
CID 23018314
5-chloro-N-cyclopropyl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 162646186
7-(bromomethyl)-5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 87779510
5,7-dichloroimidazo[1,2-a]pyrimidine
CID 23125107
6-chloro-2-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine
CID 11774169
5-chloro-3-methyl-N-propan-2-yl-6-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 89343246

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-(2,4,6-trifluorophenyl)-N-(trimethylsilylmethyl)imidazo[1,2-a]pyrimidin-5-amine?
The IUPAC name of 7-chloro-6-(2,4,6-trifluorophenyl)-N-(trimethylsilylmethyl)imidazo[1,2-a]pyrimidin-5-amine (CID 58941474) is 7-chloro-6-(2,4,6-trifluorophenyl)-N-(trimethylsilylmethyl)imidazo[1,2-a]pyrimidin-5-amine.
What is the SMILES notation for 7-chloro-6-(2,4,6-trifluorophenyl)-N-(trimethylsilylmethyl)imidazo[1,2-a]pyrimidin-5-amine?
The canonical SMILES for 7-chloro-6-(2,4,6-trifluorophenyl)-N-(trimethylsilylmethyl)imidazo[1,2-a]pyrimidin-5-amine is C[Si](C)(C)CNc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2nccn12.
What is the InChIKey of 7-chloro-6-(2,4,6-trifluorophenyl)-N-(trimethylsilylmethyl)imidazo[1,2-a]pyrimidin-5-amine?
The InChIKey is TVGDRAIPNKEZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N4Si/c1-25(2,3)8-22-15-13(12-10(19)6-9(18)7-11(12)20)14(17)23-16-21-4-5-24(15)16/h4-7,22H,8H2,1-3H3.
What are the key properties of 7-chloro-6-(2,4,6-trifluorophenyl)-N-(trimethylsilylmethyl)imidazo[1,2-a]pyrimidin-5-amine?
7-chloro-6-(2,4,6-trifluorophenyl)-N-(trimethylsilylmethyl)imidazo[1,2-a]pyrimidin-5-amine has a molecular weight of 384.87 g/mol, XLogP of 4.76, 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-(trimethylsilylmethyl)imidazo[1,2-a]pyrimidin-5-amine is sourced from PubChem (CID 58941474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).