4-(3-fluorophenoxy)-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine

C21H21FN4O2 — CID 83284609

IUPAC4-(3-fluorophenoxy)-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine
SMILESCOc1cccc(N2CCN(c3cc(Oc4cccc(F)c4)ncn3)CC2)c1
InChIInChI=1S/C21H21FN4O2/c1-27-18-6-3-5-17(13-18)25-8-10-26(11-9-25)20-14-21(24-15-23-20)28-19-7-2-4-16(22)12-19/h2-7,12-15H,8-11H2,1H3
InChIKeyKJHZYBJJDXLJFG-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.74
Rot. Bonds5

About 4-(3-fluorophenoxy)-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine

4-(3-fluorophenoxy)-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine (PubChem CID 83284609) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(3-fluorophenoxy)-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine
PubChem CID83284609
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name4-(3-fluorophenoxy)-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine
SMILESCOc1cccc(N2CCN(c3cc(Oc4cccc(F)c4)ncn3)CC2)c1
InChIInChI=1S/C21H21FN4O2/c1-27-18-6-3-5-17(13-18)25-8-10-26(11-9-25)20-14-21(24-15-23-20)28-19-7-2-4-16(22)12-19/h2-7,12-15H,8-11H2,1H3
InChIKeyKJHZYBJJDXLJFG-UHFFFAOYSA-N
XLogP3.74
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-(3-fluorophenoxy)-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine (CID 83284609) is 4-(3-fluorophenoxy)-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-(3-fluorophenoxy)-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-(3-fluorophenoxy)-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine is COc1cccc(N2CCN(c3cc(Oc4cccc(F)c4)ncn3)CC2)c1.
What is the InChIKey of 4-(3-fluorophenoxy)-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine?
The InChIKey is KJHZYBJJDXLJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-27-18-6-3-5-17(13-18)25-8-10-26(11-9-25)20-14-21(24-15-23-20)28-19-7-2-4-16(22)12-19/h2-7,12-15H,8-11H2,1H3.
What are the key properties of 4-(3-fluorophenoxy)-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine?
4-(3-fluorophenoxy)-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine has a molecular weight of 380.42 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 83284609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).