3-methyl-6-pyridin-4-yl-2-[2-[[6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-9-yl]amino]ethoxy]pyrimidin-4-one

C26H24F3N5O2 — CID 154632910

IUPAC3-methyl-6-pyridin-4-yl-2-[2-[[6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-9-yl]amino]ethoxy]pyrimidin-4-one
SMILESCn1c(OCCNc2c3c(nc4cc(C(F)(F)F)ccc24)CCCC3)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C26H24F3N5O2/c1-34-23(35)15-21(16-8-10-30-11-9-16)33-25(34)36-13-12-31-24-18-4-2-3-5-20(18)32-22-14-17(26(27,28)29)6-7-19(22)24/h6-11,14-15H,2-5,12-13H2,1H3,(H,31,32)
InChIKeyRMGRPSPQXOZGAH-UHFFFAOYSA-N
MW495.51 g/mol
LogP4.78
Rot. Bonds6

About 3-methyl-6-pyridin-4-yl-2-[2-[[6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-9-yl]amino]ethoxy]pyrimidin-4-one

3-methyl-6-pyridin-4-yl-2-[2-[[6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-9-yl]amino]ethoxy]pyrimidin-4-one (PubChem CID 154632910) has the molecular formula C26H24F3N5O2 and a molecular weight of 495.51 g/mol. Its IUPAC name is 3-methyl-6-pyridin-4-yl-2-[2-[[6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-9-yl]amino]ethoxy]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-6-pyridin-4-yl-2-[2-[[6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-9-yl]amino]ethoxy]pyrimidin-4-one
PubChem CID154632910
Molecular FormulaC26H24F3N5O2
Molecular Weight495.51 g/mol
Exact Mass495.19
IUPAC Name3-methyl-6-pyridin-4-yl-2-[2-[[6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-9-yl]amino]ethoxy]pyrimidin-4-one
SMILESCn1c(OCCNc2c3c(nc4cc(C(F)(F)F)ccc24)CCCC3)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C26H24F3N5O2/c1-34-23(35)15-21(16-8-10-30-11-9-16)33-25(34)36-13-12-31-24-18-4-2-3-5-20(18)32-22-14-17(26(27,28)29)6-7-19(22)24/h6-11,14-15H,2-5,12-13H2,1H3,(H,31,32)
InChIKeyRMGRPSPQXOZGAH-UHFFFAOYSA-N
XLogP4.78
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.51
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-pyridin-4-yl-2-[2-[[6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-9-yl]amino]ethoxy]pyrimidin-4-one?
The IUPAC name of 3-methyl-6-pyridin-4-yl-2-[2-[[6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-9-yl]amino]ethoxy]pyrimidin-4-one (CID 154632910) is 3-methyl-6-pyridin-4-yl-2-[2-[[6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-9-yl]amino]ethoxy]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-6-pyridin-4-yl-2-[2-[[6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-9-yl]amino]ethoxy]pyrimidin-4-one?
The canonical SMILES for 3-methyl-6-pyridin-4-yl-2-[2-[[6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-9-yl]amino]ethoxy]pyrimidin-4-one is Cn1c(OCCNc2c3c(nc4cc(C(F)(F)F)ccc24)CCCC3)nc(-c2ccncc2)cc1=O.
What is the InChIKey of 3-methyl-6-pyridin-4-yl-2-[2-[[6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-9-yl]amino]ethoxy]pyrimidin-4-one?
The InChIKey is RMGRPSPQXOZGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O2/c1-34-23(35)15-21(16-8-10-30-11-9-16)33-25(34)36-13-12-31-24-18-4-2-3-5-20(18)32-22-14-17(26(27,28)29)6-7-19(22)24/h6-11,14-15H,2-5,12-13H2,1H3,(H,31,32).
What are the key properties of 3-methyl-6-pyridin-4-yl-2-[2-[[6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-9-yl]amino]ethoxy]pyrimidin-4-one?
3-methyl-6-pyridin-4-yl-2-[2-[[6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-9-yl]amino]ethoxy]pyrimidin-4-one has a molecular weight of 495.51 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-pyridin-4-yl-2-[2-[[6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-9-yl]amino]ethoxy]pyrimidin-4-one is sourced from PubChem (CID 154632910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).