4-[4-(6-chloro-2-methoxyacridin-9-yl)piperazin-1-yl]-N-(4-fluorophenyl)pyrimidin-2-amine

C28H24ClFN6O — CID 155812806

IUPAC4-[4-(6-chloro-2-methoxyacridin-9-yl)piperazin-1-yl]-N-(4-fluorophenyl)pyrimidin-2-amine
SMILESCOc1ccc2nc3cc(Cl)ccc3c(N3CCN(c4ccnc(Nc5ccc(F)cc5)n4)CC3)c2c1
InChIInChI=1S/C28H24ClFN6O/c1-37-21-7-9-24-23(17-21)27(22-8-2-18(29)16-25(22)33-24)36-14-12-35(13-15-36)26-10-11-31-28(34-26)32-20-5-3-19(30)4-6-20/h2-11,16-17H,12-15H2,1H3,(H,31,32,34)
InChIKeyNIUVOQAWNZJTAY-UHFFFAOYSA-N
MW514.99 g/mol
LogP6.05
Rot. Bonds5

About 4-[4-(6-chloro-2-methoxyacridin-9-yl)piperazin-1-yl]-N-(4-fluorophenyl)pyrimidin-2-amine

4-[4-(6-chloro-2-methoxyacridin-9-yl)piperazin-1-yl]-N-(4-fluorophenyl)pyrimidin-2-amine (PubChem CID 155812806) has the molecular formula C28H24ClFN6O and a molecular weight of 514.99 g/mol. Its IUPAC name is 4-[4-(6-chloro-2-methoxyacridin-9-yl)piperazin-1-yl]-N-(4-fluorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(6-chloro-2-methoxyacridin-9-yl)piperazin-1-yl]-N-(4-fluorophenyl)pyrimidin-2-amine
PubChem CID155812806
Molecular FormulaC28H24ClFN6O
Molecular Weight514.99 g/mol
Exact Mass514.17
IUPAC Name4-[4-(6-chloro-2-methoxyacridin-9-yl)piperazin-1-yl]-N-(4-fluorophenyl)pyrimidin-2-amine
SMILESCOc1ccc2nc3cc(Cl)ccc3c(N3CCN(c4ccnc(Nc5ccc(F)cc5)n4)CC3)c2c1
InChIInChI=1S/C28H24ClFN6O/c1-37-21-7-9-24-23(17-21)27(22-8-2-18(29)16-25(22)33-24)36-14-12-35(13-15-36)26-10-11-31-28(34-26)32-20-5-3-19(30)4-6-20/h2-11,16-17H,12-15H2,1H3,(H,31,32,34)
InChIKeyNIUVOQAWNZJTAY-UHFFFAOYSA-N
XLogP6.05
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.99
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 4-[4-(6-chloro-2-methoxyacridin-9-yl)piperazin-1-yl]-N-(4-fluorophenyl)pyrimidin-2-amine 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

N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
N,N'-Bis(6-chloro-2-methoxy-9-acridinyl)-1,4-piperazinedipropanamine
CID 9831373
6-chloro-2-methoxy-N-(3-pyridyl)acridin-9-amine
CID 408350
6-Arylpyrido[2,3-d]pyrimidine deriv. 69
CID 5328171
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]quinazolin-4-amine
CID 23727980
4-[4-(4-Methoxyphenyl)piperazin-1-Yl]-2-(Pyridin-2-Yl)quinazoline
CID 58279815
2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[2,3-d]pyrimidine
CID 134611708
6-chloro-N-[(E)-1H-imidazol-2-ylmethylideneamino]-2-methoxyacridin-9-amine
CID 135401991
N4-[4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine
CID 71511622
2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[3,2-d]pyrimidine
CID 134611709
N-(3-chlorophenyl)-6-methoxyquinazolin-4-amine
CID 19595108
4-[(7-Chloroquinolin-4-yl)amino]-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenol
CID 44613217

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-chloro-2-methoxyacridin-9-yl)piperazin-1-yl]-N-(4-fluorophenyl)pyrimidin-2-amine?
The IUPAC name of 4-[4-(6-chloro-2-methoxyacridin-9-yl)piperazin-1-yl]-N-(4-fluorophenyl)pyrimidin-2-amine (CID 155812806) is 4-[4-(6-chloro-2-methoxyacridin-9-yl)piperazin-1-yl]-N-(4-fluorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(6-chloro-2-methoxyacridin-9-yl)piperazin-1-yl]-N-(4-fluorophenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[4-(6-chloro-2-methoxyacridin-9-yl)piperazin-1-yl]-N-(4-fluorophenyl)pyrimidin-2-amine is COc1ccc2nc3cc(Cl)ccc3c(N3CCN(c4ccnc(Nc5ccc(F)cc5)n4)CC3)c2c1.
What is the InChIKey of 4-[4-(6-chloro-2-methoxyacridin-9-yl)piperazin-1-yl]-N-(4-fluorophenyl)pyrimidin-2-amine?
The InChIKey is NIUVOQAWNZJTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClFN6O/c1-37-21-7-9-24-23(17-21)27(22-8-2-18(29)16-25(22)33-24)36-14-12-35(13-15-36)26-10-11-31-28(34-26)32-20-5-3-19(30)4-6-20/h2-11,16-17H,12-15H2,1H3,(H,31,32,34).
What are the key properties of 4-[4-(6-chloro-2-methoxyacridin-9-yl)piperazin-1-yl]-N-(4-fluorophenyl)pyrimidin-2-amine?
4-[4-(6-chloro-2-methoxyacridin-9-yl)piperazin-1-yl]-N-(4-fluorophenyl)pyrimidin-2-amine has a molecular weight of 514.99 g/mol, XLogP of 6.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-chloro-2-methoxyacridin-9-yl)piperazin-1-yl]-N-(4-fluorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 155812806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).