5-bromo-4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidine

C9H9BrClF3N2 — CID 66293629

IUPAC5-bromo-4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidine
SMILESCC(C)c1nc(CC(F)(F)F)nc(Cl)c1Br
InChIInChI=1S/C9H9BrClF3N2/c1-4(2)7-6(10)8(11)16-5(15-7)3-9(12,13)14/h4H,3H2,1-2H3
InChIKeyWHDORBGCQMMIRU-UHFFFAOYSA-N
MW317.54 g/mol
LogP4.12
Rot. Bonds2

About 5-bromo-4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidine

5-bromo-4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidine (PubChem CID 66293629) has the molecular formula C9H9BrClF3N2 and a molecular weight of 317.54 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidine
PubChem CID66293629
Molecular FormulaC9H9BrClF3N2
Molecular Weight317.54 g/mol
Exact Mass315.96
IUPAC Name5-bromo-4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidine
SMILESCC(C)c1nc(CC(F)(F)F)nc(Cl)c1Br
InChIInChI=1S/C9H9BrClF3N2/c1-4(2)7-6(10)8(11)16-5(15-7)3-9(12,13)14/h4H,3H2,1-2H3
InChIKeyWHDORBGCQMMIRU-UHFFFAOYSA-N
XLogP4.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.54
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidine (CID 66293629) is 5-bromo-4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidine is CC(C)c1nc(CC(F)(F)F)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidine?
The InChIKey is WHDORBGCQMMIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClF3N2/c1-4(2)7-6(10)8(11)16-5(15-7)3-9(12,13)14/h4H,3H2,1-2H3.
What are the key properties of 5-bromo-4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidine?
5-bromo-4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidine has a molecular weight of 317.54 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidine is sourced from PubChem (CID 66293629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).