[4-[6-(3-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone

C22H21FN4O2 — CID 83288749

IUPAC[4-[6-(3-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3cc(Oc4cccc(F)c4)ncn3)CC2)cc1
InChIInChI=1S/C22H21FN4O2/c1-16-5-7-17(8-6-16)22(28)27-11-9-26(10-12-27)20-14-21(25-15-24-20)29-19-4-2-3-18(23)13-19/h2-8,13-15H,9-12H2,1H3
InChIKeyUSHJPRZOQQOOGV-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.68
Rot. Bonds4

About [4-[6-(3-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone

[4-[6-(3-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone (PubChem CID 83288749) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is [4-[6-(3-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[6-(3-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone
PubChem CID83288749
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name[4-[6-(3-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3cc(Oc4cccc(F)c4)ncn3)CC2)cc1
InChIInChI=1S/C22H21FN4O2/c1-16-5-7-17(8-6-16)22(28)27-11-9-26(10-12-27)20-14-21(25-15-24-20)29-19-4-2-3-18(23)13-19/h2-8,13-15H,9-12H2,1H3
InChIKeyUSHJPRZOQQOOGV-UHFFFAOYSA-N
XLogP3.68
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[6-(3-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-[6-(3-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone (CID 83288749) is [4-[6-(3-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-[6-(3-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-[6-(3-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCN(c3cc(Oc4cccc(F)c4)ncn3)CC2)cc1.
What is the InChIKey of [4-[6-(3-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is USHJPRZOQQOOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c1-16-5-7-17(8-6-16)22(28)27-11-9-26(10-12-27)20-14-21(25-15-24-20)29-19-4-2-3-18(23)13-19/h2-8,13-15H,9-12H2,1H3.
What are the key properties of [4-[6-(3-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone?
[4-[6-(3-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 392.43 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(3-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 83288749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).