4-[4-(3-bromophenyl)piperazin-1-yl]-6-(difluoromethyl)pyrimidine

C15H15BrF2N4 — CID 166366810

IUPAC4-[4-(3-bromophenyl)piperazin-1-yl]-6-(difluoromethyl)pyrimidine
SMILESFC(F)c1cc(N2CCN(c3cccc(Br)c3)CC2)ncn1
InChIInChI=1S/C15H15BrF2N4/c16-11-2-1-3-12(8-11)21-4-6-22(7-5-21)14-9-13(15(17)18)19-10-20-14/h1-3,8-10,15H,4-7H2
InChIKeyMFVUJSSBMXMLNA-UHFFFAOYSA-N
MW369.21 g/mol
LogP3.50
Rot. Bonds3

About 4-[4-(3-bromophenyl)piperazin-1-yl]-6-(difluoromethyl)pyrimidine

4-[4-(3-bromophenyl)piperazin-1-yl]-6-(difluoromethyl)pyrimidine (PubChem CID 166366810) has the molecular formula C15H15BrF2N4 and a molecular weight of 369.21 g/mol. Its IUPAC name is 4-[4-(3-bromophenyl)piperazin-1-yl]-6-(difluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(3-bromophenyl)piperazin-1-yl]-6-(difluoromethyl)pyrimidine
PubChem CID166366810
Molecular FormulaC15H15BrF2N4
Molecular Weight369.21 g/mol
Exact Mass368.04
IUPAC Name4-[4-(3-bromophenyl)piperazin-1-yl]-6-(difluoromethyl)pyrimidine
SMILESFC(F)c1cc(N2CCN(c3cccc(Br)c3)CC2)ncn1
InChIInChI=1S/C15H15BrF2N4/c16-11-2-1-3-12(8-11)21-4-6-22(7-5-21)14-9-13(15(17)18)19-10-20-14/h1-3,8-10,15H,4-7H2
InChIKeyMFVUJSSBMXMLNA-UHFFFAOYSA-N
XLogP3.50
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-bromophenyl)piperazin-1-yl]-6-(difluoromethyl)pyrimidine?
The IUPAC name of 4-[4-(3-bromophenyl)piperazin-1-yl]-6-(difluoromethyl)pyrimidine (CID 166366810) is 4-[4-(3-bromophenyl)piperazin-1-yl]-6-(difluoromethyl)pyrimidine.
What is the SMILES notation for 4-[4-(3-bromophenyl)piperazin-1-yl]-6-(difluoromethyl)pyrimidine?
The canonical SMILES for 4-[4-(3-bromophenyl)piperazin-1-yl]-6-(difluoromethyl)pyrimidine is FC(F)c1cc(N2CCN(c3cccc(Br)c3)CC2)ncn1.
What is the InChIKey of 4-[4-(3-bromophenyl)piperazin-1-yl]-6-(difluoromethyl)pyrimidine?
The InChIKey is MFVUJSSBMXMLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrF2N4/c16-11-2-1-3-12(8-11)21-4-6-22(7-5-21)14-9-13(15(17)18)19-10-20-14/h1-3,8-10,15H,4-7H2.
What are the key properties of 4-[4-(3-bromophenyl)piperazin-1-yl]-6-(difluoromethyl)pyrimidine?
4-[4-(3-bromophenyl)piperazin-1-yl]-6-(difluoromethyl)pyrimidine has a molecular weight of 369.21 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-bromophenyl)piperazin-1-yl]-6-(difluoromethyl)pyrimidine is sourced from PubChem (CID 166366810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).