2-[2-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

C25H25FN6O — CID 154632925

IUPAC2-[2-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(NCCNc2c3c(nc4ccc(F)cc24)CCCC3)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C25H25FN6O/c1-32-23(33)15-22(16-8-10-27-11-9-16)31-25(32)29-13-12-28-24-18-4-2-3-5-20(18)30-21-7-6-17(26)14-19(21)24/h6-11,14-15H,2-5,12-13H2,1H3,(H,28,30)(H,29,31)
InChIKeyAJFHRDVVQUBREG-UHFFFAOYSA-N
MW444.51 g/mol
LogP3.93
Rot. Bonds6

About 2-[2-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

2-[2-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 154632925) has the molecular formula C25H25FN6O and a molecular weight of 444.51 g/mol. Its IUPAC name is 2-[2-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-[2-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
PubChem CID154632925
Molecular FormulaC25H25FN6O
Molecular Weight444.51 g/mol
Exact Mass444.21
IUPAC Name2-[2-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(NCCNc2c3c(nc4ccc(F)cc24)CCCC3)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C25H25FN6O/c1-32-23(33)15-22(16-8-10-27-11-9-16)31-25(32)29-13-12-28-24-18-4-2-3-5-20(18)30-21-7-6-17(26)14-19(21)24/h6-11,14-15H,2-5,12-13H2,1H3,(H,28,30)(H,29,31)
InChIKeyAJFHRDVVQUBREG-UHFFFAOYSA-N
XLogP3.93
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 53.93
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-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

3-methyl-6-pyridin-4-yl-2-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptylamino]pyrimidin-4-one
CID 154632881
2-[2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethoxy]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 154632930
6-(3-fluoro-4-pyridinyl)-3-methyl-2-[7-[(6-methyl-1,2,3,4-tetrahydroacridin-9-yl)amino]heptylamino]pyrimidin-4-one
CID 154632885
3-methyl-6-pyridin-4-yl-2-[2-[[6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-9-yl]amino]ethoxy]pyrimidin-4-one
CID 154632910
3-methyl-2-(3-piperidin-1-ylpropylamino)-6-pyridin-4-ylpyrimidin-4-one
CID 22595633
N-benzyl-7-fluoro-1,2,3,4-tetrahydroacridin-9-amine
CID 175457647
2-(2-cyclopentylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 22595679
2-(5-aminopentylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 22595671
3-methyl-2-(2-phenylsulfanylethylamino)-6-pyridin-4-ylpyrimidin-4-one
CID 22595651
2-[(3-fluorophenoxy)methylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 174473014
2-[[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 59794000
2-fluoro-4-iodo-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 79761506

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 2-[2-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (CID 154632925) is 2-[2-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-[2-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-[2-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is Cn1c(NCCNc2c3c(nc4ccc(F)cc24)CCCC3)nc(-c2ccncc2)cc1=O.
What is the InChIKey of 2-[2-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is AJFHRDVVQUBREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O/c1-32-23(33)15-22(16-8-10-27-11-9-16)31-25(32)29-13-12-28-24-18-4-2-3-5-20(18)30-21-7-6-17(26)14-19(21)24/h6-11,14-15H,2-5,12-13H2,1H3,(H,28,30)(H,29,31).
What are the key properties of 2-[2-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
2-[2-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 444.51 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 154632925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).