4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine

C24H22ClFN6 — CID 127051589

IUPAC4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCN(c3ccnc4cc(Cl)ccc34)CC2)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C24H22ClFN6/c1-16-14-23(30-24(28-16)29-19-5-3-18(26)4-6-19)32-12-10-31(11-13-32)22-8-9-27-21-15-17(25)2-7-20(21)22/h2-9,14-15H,10-13H2,1H3,(H,28,29,30)
InChIKeyYUSZJZLAXWJXHG-UHFFFAOYSA-N
MW448.93 g/mol
LogP5.20
Rot. Bonds4

About 4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine

4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine (PubChem CID 127051589) has the molecular formula C24H22ClFN6 and a molecular weight of 448.93 g/mol. Its IUPAC name is 4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine
PubChem CID127051589
Molecular FormulaC24H22ClFN6
Molecular Weight448.93 g/mol
Exact Mass448.16
IUPAC Name4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCN(c3ccnc4cc(Cl)ccc34)CC2)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C24H22ClFN6/c1-16-14-23(30-24(28-16)29-19-5-3-18(26)4-6-19)32-12-10-31(11-13-32)22-8-9-27-21-15-17(25)2-7-20(21)22/h2-9,14-15H,10-13H2,1H3,(H,28,29,30)
InChIKeyYUSZJZLAXWJXHG-UHFFFAOYSA-N
XLogP5.20
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.93
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(3,5-dimethoxyphenyl)-6-methylpyrimidin-2-amine
CID 127052761
buta-1,3-diene;4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 170974284
4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(2,6-difluorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 170974361
4-[4-(7-chloro-8-methoxyquinolin-4-yl)piperazin-1-yl]-N-(3,5-dimethoxyphenyl)-6-methylpyrimidin-2-amine
CID 177306305
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine
CID 112923615
7-chloro-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline
CID 31408699
4-fluoro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 27478347
4-[2-(3,4-difluoroanilino)-6-methylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112914641
N-(3,4-difluorophenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112923475
7-chloro-4-[4-[3-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline
CID 11840452
4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine
CID 53047748
2-(4-fluorophenyl)-1-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 121090324

Frequently Asked Questions

What is the IUPAC name of 4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine (CID 127051589) is 4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine is Cc1cc(N2CCN(c3ccnc4cc(Cl)ccc34)CC2)nc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine?
The InChIKey is YUSZJZLAXWJXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN6/c1-16-14-23(30-24(28-16)29-19-5-3-18(26)4-6-19)32-12-10-31(11-13-32)22-8-9-27-21-15-17(25)2-7-20(21)22/h2-9,14-15H,10-13H2,1H3,(H,28,29,30).
What are the key properties of 4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine?
4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine has a molecular weight of 448.93 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 127051589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).