4-(3-methylphenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine

C22H24N4O — CID 83287949

IUPAC4-(3-methylphenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine
SMILESCc1ccc(N2CCN(c3cc(Oc4cccc(C)c4)ncn3)CC2)cc1
InChIInChI=1S/C22H24N4O/c1-17-6-8-19(9-7-17)25-10-12-26(13-11-25)21-15-22(24-16-23-21)27-20-5-3-4-18(2)14-20/h3-9,14-16H,10-13H2,1-2H3
InChIKeyHGHLHFZMWFUKOF-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.21
Rot. Bonds4

About 4-(3-methylphenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine

4-(3-methylphenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine (PubChem CID 83287949) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-(3-methylphenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(3-methylphenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine
PubChem CID83287949
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name4-(3-methylphenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine
SMILESCc1ccc(N2CCN(c3cc(Oc4cccc(C)c4)ncn3)CC2)cc1
InChIInChI=1S/C22H24N4O/c1-17-6-8-19(9-7-17)25-10-12-26(13-11-25)21-15-22(24-16-23-21)27-20-5-3-4-18(2)14-20/h3-9,14-16H,10-13H2,1-2H3
InChIKeyHGHLHFZMWFUKOF-UHFFFAOYSA-N
XLogP4.21
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(3-fluorophenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine
CID 91633843
4-(2-fluorophenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine
CID 83288340
4-(3-fluorophenoxy)-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine
CID 83284609
4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidine
CID 91633793
ethyl 1-[6-(3-methylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate
CID 42872770
cyclopentyl-[2-methyl-4-[6-(3-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 83287920
1-[2-methyl-4-[6-(3-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone
CID 83287924
4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine
CID 163353209
4-(3-fluorophenoxy)-6-piperazin-1-ylpyrimidine
CID 24715764
4-methoxy-6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 154575770
1-[4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 42806325
5-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyridin-2-amine
CID 66318979

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-(3-methylphenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine (CID 83287949) is 4-(3-methylphenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-(3-methylphenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-(3-methylphenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine is Cc1ccc(N2CCN(c3cc(Oc4cccc(C)c4)ncn3)CC2)cc1.
What is the InChIKey of 4-(3-methylphenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine?
The InChIKey is HGHLHFZMWFUKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-17-6-8-19(9-7-17)25-10-12-26(13-11-25)21-15-22(24-16-23-21)27-20-5-3-4-18(2)14-20/h3-9,14-16H,10-13H2,1-2H3.
What are the key properties of 4-(3-methylphenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine?
4-(3-methylphenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine has a molecular weight of 360.46 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 83287949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).