4-(2,4-difluorophenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidine

C20H18F2N4O — CID 91633841

IUPAC4-(2,4-difluorophenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidine
SMILESFc1ccc(Oc2cc(N3CCN(c4ccccc4)CC3)ncn2)c(F)c1
InChIInChI=1S/C20H18F2N4O/c21-15-6-7-18(17(22)12-15)27-20-13-19(23-14-24-20)26-10-8-25(9-11-26)16-4-2-1-3-5-16/h1-7,12-14H,8-11H2
InChIKeyKLYHYMGXCLUVDV-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.87
Rot. Bonds4

About 4-(2,4-difluorophenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidine

4-(2,4-difluorophenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidine (PubChem CID 91633841) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidine
PubChem CID91633841
Molecular FormulaC20H18F2N4O
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name4-(2,4-difluorophenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidine
SMILESFc1ccc(Oc2cc(N3CCN(c4ccccc4)CC3)ncn2)c(F)c1
InChIInChI=1S/C20H18F2N4O/c21-15-6-7-18(17(22)12-15)27-20-13-19(23-14-24-20)26-10-8-25(9-11-26)16-4-2-1-3-5-16/h1-7,12-14H,8-11H2
InChIKeyKLYHYMGXCLUVDV-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

Analyze 4-(2,4-difluorophenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-(2,4-difluorophenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidine (CID 91633841) is 4-(2,4-difluorophenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-(2,4-difluorophenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-(2,4-difluorophenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidine is Fc1ccc(Oc2cc(N3CCN(c4ccccc4)CC3)ncn2)c(F)c1.
What is the InChIKey of 4-(2,4-difluorophenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidine?
The InChIKey is KLYHYMGXCLUVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O/c21-15-6-7-18(17(22)12-15)27-20-13-19(23-14-24-20)26-10-8-25(9-11-26)16-4-2-1-3-5-16/h1-7,12-14H,8-11H2.
What are the key properties of 4-(2,4-difluorophenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidine?
4-(2,4-difluorophenoxy)-6-(4-phenylpiperazin-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-(2,4-difluorophenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 91633841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).