5-[(4-chloro-2-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]pyrimidine

C21H20ClFN4 — CID 56672774

IUPAC5-[(4-chloro-2-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]pyrimidine
SMILESFc1cc(Cl)ccc1C(c1cncnc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H20ClFN4/c22-17-6-7-19(20(23)12-17)21(16-13-24-15-25-14-16)27-10-8-26(9-11-27)18-4-2-1-3-5-18/h1-7,12-15,21H,8-11H2
InChIKeyVGLIEVGUGNTURZ-UHFFFAOYSA-N
MW382.87 g/mol
LogP4.18
Rot. Bonds4

About 5-[(4-chloro-2-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]pyrimidine

5-[(4-chloro-2-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]pyrimidine (PubChem CID 56672774) has the molecular formula C21H20ClFN4 and a molecular weight of 382.87 g/mol. Its IUPAC name is 5-[(4-chloro-2-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]pyrimidine.

Molecular Properties

Compound Name5-[(4-chloro-2-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]pyrimidine
PubChem CID56672774
Molecular FormulaC21H20ClFN4
Molecular Weight382.87 g/mol
Exact Mass382.14
IUPAC Name5-[(4-chloro-2-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]pyrimidine
SMILESFc1cc(Cl)ccc1C(c1cncnc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H20ClFN4/c22-17-6-7-19(20(23)12-17)21(16-13-24-15-25-14-16)27-10-8-26(9-11-27)18-4-2-1-3-5-18/h1-7,12-15,21H,8-11H2
InChIKeyVGLIEVGUGNTURZ-UHFFFAOYSA-N
XLogP4.18
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-2-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]pyrimidine?
The IUPAC name of 5-[(4-chloro-2-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]pyrimidine (CID 56672774) is 5-[(4-chloro-2-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]pyrimidine.
What is the SMILES notation for 5-[(4-chloro-2-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]pyrimidine?
The canonical SMILES for 5-[(4-chloro-2-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]pyrimidine is Fc1cc(Cl)ccc1C(c1cncnc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 5-[(4-chloro-2-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]pyrimidine?
The InChIKey is VGLIEVGUGNTURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN4/c22-17-6-7-19(20(23)12-17)21(16-13-24-15-25-14-16)27-10-8-26(9-11-27)18-4-2-1-3-5-18/h1-7,12-15,21H,8-11H2.
What are the key properties of 5-[(4-chloro-2-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]pyrimidine?
5-[(4-chloro-2-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]pyrimidine has a molecular weight of 382.87 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-2-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]pyrimidine is sourced from PubChem (CID 56672774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).