4-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine

C22H24N4O — CID 1350768

IUPAC4-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc(N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C22H24N4O/c1-25-12-14-26(15-13-25)22-23-20(17-6-4-3-5-7-17)16-21(24-22)18-8-10-19(27-2)11-9-18/h3-11,16H,12-15H2,1-2H3
InChIKeyFRBRSQGICOIDHN-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.57
Rot. Bonds4

About 4-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine

4-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine (PubChem CID 1350768) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine
PubChem CID1350768
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name4-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc(N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C22H24N4O/c1-25-12-14-26(15-13-25)22-23-20(17-6-4-3-5-7-17)16-21(24-22)18-8-10-19(27-2)11-9-18/h3-11,16H,12-15H2,1-2H3
InChIKeyFRBRSQGICOIDHN-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine?
The IUPAC name of 4-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine (CID 1350768) is 4-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine?
The canonical SMILES for 4-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine is COc1ccc(-c2cc(-c3ccccc3)nc(N3CCN(C)CC3)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine?
The InChIKey is FRBRSQGICOIDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-25-12-14-26(15-13-25)22-23-20(17-6-4-3-5-7-17)16-21(24-22)18-8-10-19(27-2)11-9-18/h3-11,16H,12-15H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine?
4-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine has a molecular weight of 360.46 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine is sourced from PubChem (CID 1350768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).