1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-2,2-dimethyl-8-pyridin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one

C23H25FN4O2 — CID 10272858

IUPAC1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-2,2-dimethyl-8-pyridin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one
SMILESCOc1cc(F)ccc1CCN1c2nc(-c3ccncc3)cc(=O)n2CCC1(C)C
InChIInChI=1S/C23H25FN4O2/c1-23(2)9-13-27-21(29)15-19(16-6-10-25-11-7-16)26-22(27)28(23)12-8-17-4-5-18(24)14-20(17)30-3/h4-7,10-11,14-15H,8-9,12-13H2,1-3H3
InChIKeySTYSMRNYBVGWCB-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.68
Rot. Bonds5

About 1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-2,2-dimethyl-8-pyridin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one

1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-2,2-dimethyl-8-pyridin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one (PubChem CID 10272858) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-2,2-dimethyl-8-pyridin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one.

Molecular Properties

Compound Name1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-2,2-dimethyl-8-pyridin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one
PubChem CID10272858
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-2,2-dimethyl-8-pyridin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one
SMILESCOc1cc(F)ccc1CCN1c2nc(-c3ccncc3)cc(=O)n2CCC1(C)C
InChIInChI=1S/C23H25FN4O2/c1-23(2)9-13-27-21(29)15-19(16-6-10-25-11-7-16)26-22(27)28(23)12-8-17-4-5-18(24)14-20(17)30-3/h4-7,10-11,14-15H,8-9,12-13H2,1-3H3
InChIKeySTYSMRNYBVGWCB-UHFFFAOYSA-N
XLogP3.68
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[2-(2-chloro-4-fluorophenyl)ethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 22268204
1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-2,2-dimethyl-8-pyrimidin-4-yl-4,6-dihydro-3H-pyrimido[1,2-a]pyrimidine
CID 151801201
1-[2-(4-fluorophenyl)-2-oxoethyl]-2,2-dimethyl-8-pyrimidin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one
CID 68694588
1-ethyl-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-1'-carboxylic acid
CID 91289713
1-[2-(4-fluorophenyl)-2-oxoethyl]-7-pyridin-4-yl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
CID 22268178
2-[5-(2,4-difluoro-6-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 58900058
9-[3-(2-fluorophenyl)propyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
CID 10293927
9-[2-(3-fluorophenyl)-2-oxoethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 22268189
4-fluoro-2-methoxy-N-(4-oxo-2-pyridin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-10-yl)benzamide
CID 16730172
9-(2-methoxy-2-phenylethyl)-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
CID 69223498
9-[2-(2-methoxyphenyl)ethyl]-8-methyl-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 68697949
2-[[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 59794000

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-2,2-dimethyl-8-pyridin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one?
The IUPAC name of 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) is 1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-2,2-dimethyl-8-pyridin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one.
What is the SMILES notation for 1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-2,2-dimethyl-8-pyridin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one?
The canonical SMILES for 1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-2,2-dimethyl-8-pyridin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one is COc1cc(F)ccc1CCN1c2nc(-c3ccncc3)cc(=O)n2CCC1(C)C.
What is the InChIKey of 1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-2,2-dimethyl-8-pyridin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one?
The InChIKey is STYSMRNYBVGWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-23(2)9-13-27-21(29)15-19(16-6-10-25-11-7-16)26-22(27)28(23)12-8-17-4-5-18(24)14-20(17)30-3/h4-7,10-11,14-15H,8-9,12-13H2,1-3H3.
What are the key properties of 1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-2,2-dimethyl-8-pyridin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one?
1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-2,2-dimethyl-8-pyridin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one has a molecular weight of 408.48 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-2,2-dimethyl-8-pyridin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one is sourced from PubChem (CID 10272858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).