5-bromo-2-chloro-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine

C10H11BrClF3N4 — CID 79073101

IUPAC5-bromo-2-chloro-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
SMILESFC(F)(F)CN1CCN(c2nc(Cl)ncc2Br)CC1
InChIInChI=1S/C10H11BrClF3N4/c11-7-5-16-9(12)17-8(7)19-3-1-18(2-4-19)6-10(13,14)15/h5H,1-4,6H2
InChIKeyWMIHNAGZFBNSDJ-UHFFFAOYSA-N
MW359.58 g/mol
LogP2.58
Rot. Bonds2

About 5-bromo-2-chloro-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine

5-bromo-2-chloro-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine (PubChem CID 79073101) has the molecular formula C10H11BrClF3N4 and a molecular weight of 359.58 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-bromo-2-chloro-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
PubChem CID79073101
Molecular FormulaC10H11BrClF3N4
Molecular Weight359.58 g/mol
Exact Mass357.98
IUPAC Name5-bromo-2-chloro-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
SMILESFC(F)(F)CN1CCN(c2nc(Cl)ncc2Br)CC1
InChIInChI=1S/C10H11BrClF3N4/c11-7-5-16-9(12)17-8(7)19-3-1-18(2-4-19)6-10(13,14)15/h5H,1-4,6H2
InChIKeyWMIHNAGZFBNSDJ-UHFFFAOYSA-N
XLogP2.58
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.58
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine
CID 1714310
5-Bromo-2-(piperidin-1-yl)pyrimidine
CID 3614682
5-Bromo-2-chloro-4-(4-methylsulfonylpiperazin-1-yl)pyrimidine
CID 79072608
5-Bromo-2-(trifluoromethyl)pyrimidine
CID 33697963
1-(5-Bromopyrimidin-2-yl)piperazine
CID 2757175
5-Bromo-4-piperidin-1-yl-2-pyrrolidin-1-ylpyrimidine
CID 5309652
2-Chloro-5-fluoro-4-piperidin-1-ylpyrimidine
CID 2338458
5-Bromo-2-(1,1-difluoroethyl)pyrimidine
CID 86716009
5-Bromo-2-[4-(2-chloroprop-2-enyl)piperazin-1-yl]pyrimidine
CID 47053565
2,2'-Bipyrimidine, 5,5'-dibromo-
CID 10903167
5-Bromo-2-chloro-4-(pyrrolidin-1-yl)pyrimidine
CID 44558540
5-Bromo-2-[(piperazin-1-yl)methyl]pyrimidine dihydrochloride
CID 165794369

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 5-bromo-2-chloro-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine (CID 79073101) is 5-bromo-2-chloro-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-bromo-2-chloro-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-bromo-2-chloro-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine is FC(F)(F)CN1CCN(c2nc(Cl)ncc2Br)CC1.
What is the InChIKey of 5-bromo-2-chloro-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine?
The InChIKey is WMIHNAGZFBNSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClF3N4/c11-7-5-16-9(12)17-8(7)19-3-1-18(2-4-19)6-10(13,14)15/h5H,1-4,6H2.
What are the key properties of 5-bromo-2-chloro-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine?
5-bromo-2-chloro-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine has a molecular weight of 359.58 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 79073101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).