2-[4-(4-methoxy-2-methyl-3-phenylphenyl)piperazin-1-yl]pyrimidine

C22H24N4O — CID 67713606

IUPAC2-[4-(4-methoxy-2-methyl-3-phenylphenyl)piperazin-1-yl]pyrimidine
SMILESCOc1ccc(N2CCN(c3ncccn3)CC2)c(C)c1-c1ccccc1
InChIInChI=1S/C22H24N4O/c1-17-19(9-10-20(27-2)21(17)18-7-4-3-5-8-18)25-13-15-26(16-14-25)22-23-11-6-12-24-22/h3-12H,13-16H2,1-2H3
InChIKeyJXRQVHGZWOHNJO-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.79
Rot. Bonds4

About 2-[4-(4-methoxy-2-methyl-3-phenylphenyl)piperazin-1-yl]pyrimidine

2-[4-(4-methoxy-2-methyl-3-phenylphenyl)piperazin-1-yl]pyrimidine (PubChem CID 67713606) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[4-(4-methoxy-2-methyl-3-phenylphenyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(4-methoxy-2-methyl-3-phenylphenyl)piperazin-1-yl]pyrimidine
PubChem CID67713606
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-[4-(4-methoxy-2-methyl-3-phenylphenyl)piperazin-1-yl]pyrimidine
SMILESCOc1ccc(N2CCN(c3ncccn3)CC2)c(C)c1-c1ccccc1
InChIInChI=1S/C22H24N4O/c1-17-19(9-10-20(27-2)21(17)18-7-4-3-5-8-18)25-13-15-26(16-14-25)22-23-11-6-12-24-22/h3-12H,13-16H2,1-2H3
InChIKeyJXRQVHGZWOHNJO-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxy-2-methyl-3-phenylphenyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(4-methoxy-2-methyl-3-phenylphenyl)piperazin-1-yl]pyrimidine (CID 67713606) is 2-[4-(4-methoxy-2-methyl-3-phenylphenyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(4-methoxy-2-methyl-3-phenylphenyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(4-methoxy-2-methyl-3-phenylphenyl)piperazin-1-yl]pyrimidine is COc1ccc(N2CCN(c3ncccn3)CC2)c(C)c1-c1ccccc1.
What is the InChIKey of 2-[4-(4-methoxy-2-methyl-3-phenylphenyl)piperazin-1-yl]pyrimidine?
The InChIKey is JXRQVHGZWOHNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-17-19(9-10-20(27-2)21(17)18-7-4-3-5-8-18)25-13-15-26(16-14-25)22-23-11-6-12-24-22/h3-12H,13-16H2,1-2H3.
What are the key properties of 2-[4-(4-methoxy-2-methyl-3-phenylphenyl)piperazin-1-yl]pyrimidine?
2-[4-(4-methoxy-2-methyl-3-phenylphenyl)piperazin-1-yl]pyrimidine has a molecular weight of 360.46 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxy-2-methyl-3-phenylphenyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 67713606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).