2-[2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one

C25H24ClFN6O — CID 154632894

IUPAC2-[2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
SMILESCn1c(NCCNc2c3c(nc4ccc(Cl)cc24)CCCC3)nc(-c2ccncc2F)cc1=O
InChIInChI=1S/C25H24ClFN6O/c1-33-23(34)13-22(16-8-9-28-14-19(16)27)32-25(33)30-11-10-29-24-17-4-2-3-5-20(17)31-21-7-6-15(26)12-18(21)24/h6-9,12-14H,2-5,10-11H2,1H3,(H,29,31)(H,30,32)
InChIKeyXAXUQOOLGPCCJX-UHFFFAOYSA-N
MW478.96 g/mol
LogP4.59
Rot. Bonds6

About 2-[2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one

2-[2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one (PubChem CID 154632894) has the molecular formula C25H24ClFN6O and a molecular weight of 478.96 g/mol. Its IUPAC name is 2-[2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-[2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
PubChem CID154632894
Molecular FormulaC25H24ClFN6O
Molecular Weight478.96 g/mol
Exact Mass478.17
IUPAC Name2-[2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
SMILESCn1c(NCCNc2c3c(nc4ccc(Cl)cc24)CCCC3)nc(-c2ccncc2F)cc1=O
InChIInChI=1S/C25H24ClFN6O/c1-33-23(34)13-22(16-8-9-28-14-19(16)27)32-25(33)30-11-10-29-24-17-4-2-3-5-20(17)31-21-7-6-15(26)12-18(21)24/h6-9,12-14H,2-5,10-11H2,1H3,(H,29,31)(H,30,32)
InChIKeyXAXUQOOLGPCCJX-UHFFFAOYSA-N
XLogP4.59
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.96
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one with MolForge

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Related Compounds

9-(2-aminopyrimidin-5-yl)-1-(3-chloro-4-fluorophenyl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 51351032
6-chloro-1-methyl-4-(1-(quinolin-6-ylmethyl)piperidin-4-ylamino)quinazolin-2(1H)-one
CID 10025899
2-[3-(3-Chlorophenyl)piperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 11164978
2-[3-(3-Chlorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 11485846
1-(4-Chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]urea
CID 44533445
1-(4-Chloro-2-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]urea
CID 44533481
N-(4-chlorophenyl)-4-[N''-cyano-N-(quinolin-5-yl)carbamimidoyl]-3-(propan-2-yl)piperazine-1-carboxamide
CID 44567882
N-(4-chlorophenyl)-4-(N-cyano-N'-quinolin-5-ylcarbamimidoyl)-2-propan-2-ylpiperazine-1-carboxamide
CID 44567883
5-[4-[(3-chlorophenyl)methylamino]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]quinazolin-6-yl]-1H-pyridin-2-one
CID 129166000
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide
CID 139295357
N-(5-chloro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide
CID 139295369
N-[6-chloro-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 141327074

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one?
The IUPAC name of 2-[2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one (CID 154632894) is 2-[2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one.
What is the SMILES notation for 2-[2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one?
The canonical SMILES for 2-[2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one is Cn1c(NCCNc2c3c(nc4ccc(Cl)cc24)CCCC3)nc(-c2ccncc2F)cc1=O.
What is the InChIKey of 2-[2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one?
The InChIKey is XAXUQOOLGPCCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN6O/c1-33-23(34)13-22(16-8-9-28-14-19(16)27)32-25(33)30-11-10-29-24-17-4-2-3-5-20(17)31-21-7-6-15(26)12-18(21)24/h6-9,12-14H,2-5,10-11H2,1H3,(H,29,31)(H,30,32).
What are the key properties of 2-[2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one?
2-[2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one has a molecular weight of 478.96 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one is sourced from PubChem (CID 154632894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).