2-[5-(2,4-difluoro-6-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

C22H20F2N4O2 — CID 58900058

IUPAC2-[5-(2,4-difluoro-6-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCOc1cc(F)cc(F)c1C1=CCCN(c2nc(-c3ccncc3)cc(=O)n2C)C1
InChIInChI=1S/C22H20F2N4O2/c1-27-20(29)12-18(14-5-7-25-8-6-14)26-22(27)28-9-3-4-15(13-28)21-17(24)10-16(23)11-19(21)30-2/h4-8,10-12H,3,9,13H2,1-2H3
InChIKeyVASLAIJENUBIAT-UHFFFAOYSA-N
MW410.42 g/mol
LogP3.42
Rot. Bonds4

About 2-[5-(2,4-difluoro-6-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

2-[5-(2,4-difluoro-6-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 58900058) has the molecular formula C22H20F2N4O2 and a molecular weight of 410.42 g/mol. Its IUPAC name is 2-[5-(2,4-difluoro-6-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-[5-(2,4-difluoro-6-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
PubChem CID58900058
Molecular FormulaC22H20F2N4O2
Molecular Weight410.42 g/mol
Exact Mass410.16
IUPAC Name2-[5-(2,4-difluoro-6-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCOc1cc(F)cc(F)c1C1=CCCN(c2nc(-c3ccncc3)cc(=O)n2C)C1
InChIInChI=1S/C22H20F2N4O2/c1-27-20(29)12-18(14-5-7-25-8-6-14)26-22(27)28-9-3-4-15(13-28)21-17(24)10-16(23)11-19(21)30-2/h4-8,10-12H,3,9,13H2,1-2H3
InChIKeyVASLAIJENUBIAT-UHFFFAOYSA-N
XLogP3.42
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[5-(2,4-difluoro-6-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one with MolForge

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Related Compounds

3-methyl-2-[5-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-pyridin-4-ylpyrimidin-4-one
CID 58900061
3-methyl-6-pyridin-4-yl-2-[5-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-4-one
CID 174478192
2-[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 59794037
2-[5-(2-bromophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 10432442
1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-2,2-dimethyl-8-pyridin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one
CID 10272858
2-[2-(3-methoxyphenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 10156508
2-[3-(2-methoxy-5-pyrrolidin-1-ylphenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 11166753
tert-butyl 4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate
CID 143560928
N-(4-fluorophenyl)-4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)morpholine-2-carboxamide
CID 59794158
3-methyl-2-(3-phenylmethoxypyrrolidin-1-yl)-6-pyridin-4-ylpyrimidin-4-one
CID 25002829
2-[(3S)-3-(4-chlorophenyl)-5-methylpiperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 91456460
2-[2-(4-fluoronaphthalene-1-carbonyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 59794189

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-difluoro-6-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 2-[5-(2,4-difluoro-6-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (CID 58900058) is 2-[5-(2,4-difluoro-6-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-[5-(2,4-difluoro-6-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-[5-(2,4-difluoro-6-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is COc1cc(F)cc(F)c1C1=CCCN(c2nc(-c3ccncc3)cc(=O)n2C)C1.
What is the InChIKey of 2-[5-(2,4-difluoro-6-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is VASLAIJENUBIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O2/c1-27-20(29)12-18(14-5-7-25-8-6-14)26-22(27)28-9-3-4-15(13-28)21-17(24)10-16(23)11-19(21)30-2/h4-8,10-12H,3,9,13H2,1-2H3.
What are the key properties of 2-[5-(2,4-difluoro-6-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
2-[5-(2,4-difluoro-6-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 410.42 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-difluoro-6-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 58900058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).