4-(4-bromophenyl)-6-(1-fluoroethyl)-2-methylpyrimidine

C13H12BrFN2 — CID 74948282

IUPAC4-(4-bromophenyl)-6-(1-fluoroethyl)-2-methylpyrimidine
SMILESCc1nc(-c2ccc(Br)cc2)cc(C(C)F)n1
InChIInChI=1S/C13H12BrFN2/c1-8(15)12-7-13(17-9(2)16-12)10-3-5-11(14)6-4-10/h3-8H,1-2H3
InChIKeyNLXLMQCNXBNMCT-UHFFFAOYSA-N
MW295.16 g/mol
LogP4.25
Rot. Bonds2

About 4-(4-bromophenyl)-6-(1-fluoroethyl)-2-methylpyrimidine

4-(4-bromophenyl)-6-(1-fluoroethyl)-2-methylpyrimidine (PubChem CID 74948282) has the molecular formula C13H12BrFN2 and a molecular weight of 295.16 g/mol. Its IUPAC name is 4-(4-bromophenyl)-6-(1-fluoroethyl)-2-methylpyrimidine.

Molecular Properties

Compound Name4-(4-bromophenyl)-6-(1-fluoroethyl)-2-methylpyrimidine
PubChem CID74948282
Molecular FormulaC13H12BrFN2
Molecular Weight295.16 g/mol
Exact Mass294.02
IUPAC Name4-(4-bromophenyl)-6-(1-fluoroethyl)-2-methylpyrimidine
SMILESCc1nc(-c2ccc(Br)cc2)cc(C(C)F)n1
InChIInChI=1S/C13H12BrFN2/c1-8(15)12-7-13(17-9(2)16-12)10-3-5-11(14)6-4-10/h3-8H,1-2H3
InChIKeyNLXLMQCNXBNMCT-UHFFFAOYSA-N
XLogP4.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-6-(1-fluoroethyl)-2-methylpyrimidine?
The IUPAC name of 4-(4-bromophenyl)-6-(1-fluoroethyl)-2-methylpyrimidine (CID 74948282) is 4-(4-bromophenyl)-6-(1-fluoroethyl)-2-methylpyrimidine.
What is the SMILES notation for 4-(4-bromophenyl)-6-(1-fluoroethyl)-2-methylpyrimidine?
The canonical SMILES for 4-(4-bromophenyl)-6-(1-fluoroethyl)-2-methylpyrimidine is Cc1nc(-c2ccc(Br)cc2)cc(C(C)F)n1.
What is the InChIKey of 4-(4-bromophenyl)-6-(1-fluoroethyl)-2-methylpyrimidine?
The InChIKey is NLXLMQCNXBNMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2/c1-8(15)12-7-13(17-9(2)16-12)10-3-5-11(14)6-4-10/h3-8H,1-2H3.
What are the key properties of 4-(4-bromophenyl)-6-(1-fluoroethyl)-2-methylpyrimidine?
4-(4-bromophenyl)-6-(1-fluoroethyl)-2-methylpyrimidine has a molecular weight of 295.16 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-6-(1-fluoroethyl)-2-methylpyrimidine is sourced from PubChem (CID 74948282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).