4-(2-fluorophenoxy)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine

C20H18F2N4O — CID 83289222

IUPAC4-(2-fluorophenoxy)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine
SMILESFc1ccccc1Oc1cc(N2CCN(c3ccccc3F)CC2)ncn1
InChIInChI=1S/C20H18F2N4O/c21-15-5-1-3-7-17(15)25-9-11-26(12-10-25)19-13-20(24-14-23-19)27-18-8-4-2-6-16(18)22/h1-8,13-14H,9-12H2
InChIKeyHVGDQYIQVUJZQS-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.87
Rot. Bonds4

About 4-(2-fluorophenoxy)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine

4-(2-fluorophenoxy)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine (PubChem CID 83289222) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine
PubChem CID83289222
Molecular FormulaC20H18F2N4O
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name4-(2-fluorophenoxy)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine
SMILESFc1ccccc1Oc1cc(N2CCN(c3ccccc3F)CC2)ncn1
InChIInChI=1S/C20H18F2N4O/c21-15-5-1-3-7-17(15)25-9-11-26(12-10-25)19-13-20(24-14-23-19)27-18-8-4-2-6-16(18)22/h1-8,13-14H,9-12H2
InChIKeyHVGDQYIQVUJZQS-UHFFFAOYSA-N
XLogP3.87
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-fluorophenoxy)-6-(4-methylpiperazin-1-yl)pyrimidine
CID 24715570
4-(2-fluorophenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine
CID 83288340
4-(2,4-difluorophenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidine
CID 91633841
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 112857944
6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 78929785
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine
CID 163351970
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyrimidine
CID 35271779
1-[6-(2,4-difluorophenoxy)pyrimidin-4-yl]azepane
CID 83289257
4-(azetidin-1-yl)-6-(2-bromophenoxy)pyrimidine
CID 90313689
1-[(2R)-4-[6-(2-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]butan-1-one
CID 93296512
5-fluoro-2-[1-[6-(2-fluorophenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine
CID 46879755
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine
CID 154829213

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-(2-fluorophenoxy)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine (CID 83289222) is 4-(2-fluorophenoxy)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-(2-fluorophenoxy)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-(2-fluorophenoxy)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine is Fc1ccccc1Oc1cc(N2CCN(c3ccccc3F)CC2)ncn1.
What is the InChIKey of 4-(2-fluorophenoxy)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine?
The InChIKey is HVGDQYIQVUJZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O/c21-15-5-1-3-7-17(15)25-9-11-26(12-10-25)19-13-20(24-14-23-19)27-18-8-4-2-6-16(18)22/h1-8,13-14H,9-12H2.
What are the key properties of 4-(2-fluorophenoxy)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine?
4-(2-fluorophenoxy)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine has a molecular weight of 368.39 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 83289222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).