4-[5-fluoro-4-[4-(4-methylphenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine

C24H34FN7O — CID 58320503

IUPAC4-[5-fluoro-4-[4-(4-methylphenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine
SMILESCc1ccc(N2CCN(c3nc(N4CCOCC4)nc(N4CCN(C)CC4)c3F)CC2)cc1
InChIInChI=1S/C24H34FN7O/c1-19-3-5-20(6-4-19)29-11-13-31(14-12-29)23-21(25)22(30-9-7-28(2)8-10-30)26-24(27-23)32-15-17-33-18-16-32/h3-6H,7-18H2,1-2H3
InChIKeyFHLRVYAFUBLAHH-UHFFFAOYSA-N
MW455.58 g/mol
LogP1.84
Rot. Bonds4

About 4-[5-fluoro-4-[4-(4-methylphenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine

4-[5-fluoro-4-[4-(4-methylphenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine (PubChem CID 58320503) has the molecular formula C24H34FN7O and a molecular weight of 455.58 g/mol. Its IUPAC name is 4-[5-fluoro-4-[4-(4-methylphenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-fluoro-4-[4-(4-methylphenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine
PubChem CID58320503
Molecular FormulaC24H34FN7O
Molecular Weight455.58 g/mol
Exact Mass455.28
IUPAC Name4-[5-fluoro-4-[4-(4-methylphenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine
SMILESCc1ccc(N2CCN(c3nc(N4CCOCC4)nc(N4CCN(C)CC4)c3F)CC2)cc1
InChIInChI=1S/C24H34FN7O/c1-19-3-5-20(6-4-19)29-11-13-31(14-12-29)23-21(25)22(30-9-7-28(2)8-10-30)26-24(27-23)32-15-17-33-18-16-32/h3-6H,7-18H2,1-2H3
InChIKeyFHLRVYAFUBLAHH-UHFFFAOYSA-N
XLogP1.84
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[5-fluoro-4-[4-(4-methylphenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine with MolForge

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

Launch Full Analysis

Related Compounds

CID 656281
CID 656281
CID 1868950
CID 1868950
CID 44194780
CID 44194780
CID 44815590
CID 44815590
CID 46913071
CID 46913071
CID 54760109
CID 54760109
CID 54760285
CID 54760285
CID 54760475
CID 54760475
CID 54760671
CID 54760671
CID 54761040
CID 54761040
CID 54761217
CID 54761217
CID 59244213
CID 59244213

Frequently Asked Questions

What is the IUPAC name of 4-[5-fluoro-4-[4-(4-methylphenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[5-fluoro-4-[4-(4-methylphenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine (CID 58320503) is 4-[5-fluoro-4-[4-(4-methylphenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-fluoro-4-[4-(4-methylphenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[5-fluoro-4-[4-(4-methylphenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine is Cc1ccc(N2CCN(c3nc(N4CCOCC4)nc(N4CCN(C)CC4)c3F)CC2)cc1.
What is the InChIKey of 4-[5-fluoro-4-[4-(4-methylphenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The InChIKey is FHLRVYAFUBLAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN7O/c1-19-3-5-20(6-4-19)29-11-13-31(14-12-29)23-21(25)22(30-9-7-28(2)8-10-30)26-24(27-23)32-15-17-33-18-16-32/h3-6H,7-18H2,1-2H3.
What are the key properties of 4-[5-fluoro-4-[4-(4-methylphenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
4-[5-fluoro-4-[4-(4-methylphenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine has a molecular weight of 455.58 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-fluoro-4-[4-(4-methylphenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 58320503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).