4-(2-fluorophenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]pyrimidine

C20H21FN4S — CID 166364383

IUPAC4-(2-fluorophenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]pyrimidine
SMILESFc1ccccc1-c1ccnc(N2CCN(CCc3cccs3)CC2)n1
InChIInChI=1S/C20H21FN4S/c21-18-6-2-1-5-17(18)19-7-9-22-20(23-19)25-13-11-24(12-14-25)10-8-16-4-3-15-26-16/h1-7,9,15H,8,10-14H2
InChIKeyRFCWVVHNEILGRM-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.71
Rot. Bonds5

About 4-(2-fluorophenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]pyrimidine

4-(2-fluorophenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]pyrimidine (PubChem CID 166364383) has the molecular formula C20H21FN4S and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]pyrimidine
PubChem CID166364383
Molecular FormulaC20H21FN4S
Molecular Weight368.48 g/mol
Exact Mass368.15
IUPAC Name4-(2-fluorophenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]pyrimidine
SMILESFc1ccccc1-c1ccnc(N2CCN(CCc3cccs3)CC2)n1
InChIInChI=1S/C20H21FN4S/c21-18-6-2-1-5-17(18)19-7-9-22-20(23-19)25-13-11-24(12-14-25)10-8-16-4-3-15-26-16/h1-7,9,15H,8,10-14H2
InChIKeyRFCWVVHNEILGRM-UHFFFAOYSA-N
XLogP3.71
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-(2-fluorophenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]pyrimidine (CID 166364383) is 4-(2-fluorophenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-(2-fluorophenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-(2-fluorophenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]pyrimidine is Fc1ccccc1-c1ccnc(N2CCN(CCc3cccs3)CC2)n1.
What is the InChIKey of 4-(2-fluorophenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]pyrimidine?
The InChIKey is RFCWVVHNEILGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4S/c21-18-6-2-1-5-17(18)19-7-9-22-20(23-19)25-13-11-24(12-14-25)10-8-16-4-3-15-26-16/h1-7,9,15H,8,10-14H2.
What are the key properties of 4-(2-fluorophenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]pyrimidine?
4-(2-fluorophenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]pyrimidine has a molecular weight of 368.48 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 166364383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).