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

C25H24F2N6O — CID 154632949

IUPAC6-(3-fluoro-4-pyridinyl)-2-[2-[(6-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-3-methylpyrimidin-4-one
SMILESCn1c(NCCNc2c3c(nc4cc(F)ccc24)CCCC3)nc(-c2ccncc2F)cc1=O
InChIInChI=1S/C25H24F2N6O/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)31-21-12-15(26)6-7-18(21)24/h6-9,12-14H,2-5,10-11H2,1H3,(H,29,31)(H,30,32)
InChIKeyAYQCSGUUVBOUDZ-UHFFFAOYSA-N
MW462.50 g/mol
LogP4.07
Rot. Bonds6

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

6-(3-fluoro-4-pyridinyl)-2-[2-[(6-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-3-methylpyrimidin-4-one (PubChem CID 154632949) has the molecular formula C25H24F2N6O and a molecular weight of 462.50 g/mol. Its IUPAC name is 6-(3-fluoro-4-pyridinyl)-2-[2-[(6-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-(3-fluoro-4-pyridinyl)-2-[2-[(6-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-3-methylpyrimidin-4-one
PubChem CID154632949
Molecular FormulaC25H24F2N6O
Molecular Weight462.50 g/mol
Exact Mass462.20
IUPAC Name6-(3-fluoro-4-pyridinyl)-2-[2-[(6-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-3-methylpyrimidin-4-one
SMILESCn1c(NCCNc2c3c(nc4cc(F)ccc24)CCCC3)nc(-c2ccncc2F)cc1=O
InChIInChI=1S/C25H24F2N6O/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)31-21-12-15(26)6-7-18(21)24/h6-9,12-14H,2-5,10-11H2,1H3,(H,29,31)(H,30,32)
InChIKeyAYQCSGUUVBOUDZ-UHFFFAOYSA-N
XLogP4.07
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Related Compounds

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SB-410220
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9-(6-aminopyridin-3-yl)-1-(4-fluoro-3-(trifluoromethyl)phenyl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 51350805
9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-(trifluoromethyl)phenyl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 51350806
[2-(3,4-Difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-1,6-naphthyridin-5-yl]cyanamide
CID 53492945
1-[[2-(4-Methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]-3-quinolin-5-ylurea
CID 71237040
N-methyl-N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]acetamide
CID 24891647
N-[1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide
CID 68486699
1,6-Naphthyridine 28
CID 5330138
1,6-Naphthyridine 31
CID 5330141
(E)-N-Methyl-N-[(1-methyl-1H-indol-2-ylmethyl)]-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide
CID 6539893
2-(4-fluorophenyl)-N-pyrimidin-2-ylquinoline-4-carboxamide
CID 2326989

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-pyridinyl)-2-[2-[(6-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-3-methylpyrimidin-4-one?
The IUPAC name of 6-(3-fluoro-4-pyridinyl)-2-[2-[(6-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-3-methylpyrimidin-4-one (CID 154632949) is 6-(3-fluoro-4-pyridinyl)-2-[2-[(6-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-3-methylpyrimidin-4-one.
What is the SMILES notation for 6-(3-fluoro-4-pyridinyl)-2-[2-[(6-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-3-methylpyrimidin-4-one?
The canonical SMILES for 6-(3-fluoro-4-pyridinyl)-2-[2-[(6-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-3-methylpyrimidin-4-one is Cn1c(NCCNc2c3c(nc4cc(F)ccc24)CCCC3)nc(-c2ccncc2F)cc1=O.
What is the InChIKey of 6-(3-fluoro-4-pyridinyl)-2-[2-[(6-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-3-methylpyrimidin-4-one?
The InChIKey is AYQCSGUUVBOUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N6O/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)31-21-12-15(26)6-7-18(21)24/h6-9,12-14H,2-5,10-11H2,1H3,(H,29,31)(H,30,32).
What are the key properties of 6-(3-fluoro-4-pyridinyl)-2-[2-[(6-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-3-methylpyrimidin-4-one?
6-(3-fluoro-4-pyridinyl)-2-[2-[(6-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-3-methylpyrimidin-4-one has a molecular weight of 462.50 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-pyridinyl)-2-[2-[(6-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-3-methylpyrimidin-4-one is sourced from PubChem (CID 154632949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).