methyl 2-[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-methoxy-3-(6-methylnaphthalen-2-yl)phenyl]-2-methylpropanoate

C27H25FN2O5 — CID 144982602

IUPACmethyl 2-[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-methoxy-3-(6-methylnaphthalen-2-yl)phenyl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1cc(-n2ccc(=O)[nH]c2=O)c(F)c(-c2ccc3cc(C)ccc3c2)c1OC
InChIInChI=1S/C27H25FN2O5/c1-15-6-7-17-13-18(9-8-16(17)12-15)22-23(28)20(30-11-10-21(31)29-26(30)33)14-19(24(22)34-4)27(2,3)25(32)35-5/h6-14H,1-5H3,(H,29,31,33)
InChIKeyFQLWFAFRAFPGIC-UHFFFAOYSA-N
MW476.50 g/mol
LogP4.25
Rot. Bonds5

About methyl 2-[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-methoxy-3-(6-methylnaphthalen-2-yl)phenyl]-2-methylpropanoate

methyl 2-[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-methoxy-3-(6-methylnaphthalen-2-yl)phenyl]-2-methylpropanoate (PubChem CID 144982602) has the molecular formula C27H25FN2O5 and a molecular weight of 476.50 g/mol. Its IUPAC name is methyl 2-[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-methoxy-3-(6-methylnaphthalen-2-yl)phenyl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-methoxy-3-(6-methylnaphthalen-2-yl)phenyl]-2-methylpropanoate
PubChem CID144982602
Molecular FormulaC27H25FN2O5
Molecular Weight476.50 g/mol
Exact Mass476.17
IUPAC Namemethyl 2-[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-methoxy-3-(6-methylnaphthalen-2-yl)phenyl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1cc(-n2ccc(=O)[nH]c2=O)c(F)c(-c2ccc3cc(C)ccc3c2)c1OC
InChIInChI=1S/C27H25FN2O5/c1-15-6-7-17-13-18(9-8-16(17)12-15)22-23(28)20(30-11-10-21(31)29-26(30)33)14-19(24(22)34-4)27(2,3)25(32)35-5/h6-14H,1-5H3,(H,29,31,33)
InChIKeyFQLWFAFRAFPGIC-UHFFFAOYSA-N
XLogP4.25
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.50
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-methoxy-3-(6-methylnaphthalen-2-yl)phenyl]-2-methylpropanoate with MolForge

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Related Compounds

Dasabuvir
CID 56640146
N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-naphthalen-2-ylacetamide
CID 118116830
1-(3-tert-butyl-5-(6-hydroxynaphthalen-2-yl)-4-methoxyphenyl)pyrimidine-2,4(1H,3H)-dione
CID 56640670
Dasabuvir metabolite M1
CID 25234043
Dasabuvir metabolite M5
CID 25234279
(2S)-3-[[6-[5-(2,4-dioxopyrimidin-1-yl)-2-methoxy-3-(trifluoromethyl)phenyl]naphthalen-2-yl]amino]-2-methylpropanal
CID 88900872
1-[3-Tert-butyl-5-(6-fluorosulfonyloxynaphthalen-2-yl)-4-methoxyphenyl]-2,4-dioxopyrimidine
CID 89759708
[6-[3-Tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl] fluoromethanesulfonate
CID 89771577
1-[3-(6-Aminonaphthalen-2-yl)-4-methoxy-5-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 89803646
N-[6-[5-(2,4-dioxopyrimidin-1-yl)-3-fluoro-2-methoxyphenyl]naphthalen-2-yl]methanesulfonamide
CID 90335041
Methyl 2-[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-[6-(methanesulfonamido)naphthalen-2-yl]-2-methoxyphenyl]-2-methylpropanoate
CID 118609260
N-[6-[3-(2,4-dioxopyrimidin-1-yl)-2-fluoro-5-(1-hydroxy-2-methylpropan-2-yl)-6-methoxyphenyl]naphthalen-2-yl]methanesulfonamide
CID 118609293

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-methoxy-3-(6-methylnaphthalen-2-yl)phenyl]-2-methylpropanoate?
The IUPAC name of methyl 2-[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-methoxy-3-(6-methylnaphthalen-2-yl)phenyl]-2-methylpropanoate (CID 144982602) is methyl 2-[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-methoxy-3-(6-methylnaphthalen-2-yl)phenyl]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-methoxy-3-(6-methylnaphthalen-2-yl)phenyl]-2-methylpropanoate?
The canonical SMILES for methyl 2-[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-methoxy-3-(6-methylnaphthalen-2-yl)phenyl]-2-methylpropanoate is COC(=O)C(C)(C)c1cc(-n2ccc(=O)[nH]c2=O)c(F)c(-c2ccc3cc(C)ccc3c2)c1OC.
What is the InChIKey of methyl 2-[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-methoxy-3-(6-methylnaphthalen-2-yl)phenyl]-2-methylpropanoate?
The InChIKey is FQLWFAFRAFPGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN2O5/c1-15-6-7-17-13-18(9-8-16(17)12-15)22-23(28)20(30-11-10-21(31)29-26(30)33)14-19(24(22)34-4)27(2,3)25(32)35-5/h6-14H,1-5H3,(H,29,31,33).
What are the key properties of methyl 2-[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-methoxy-3-(6-methylnaphthalen-2-yl)phenyl]-2-methylpropanoate?
methyl 2-[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-methoxy-3-(6-methylnaphthalen-2-yl)phenyl]-2-methylpropanoate has a molecular weight of 476.50 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-methoxy-3-(6-methylnaphthalen-2-yl)phenyl]-2-methylpropanoate is sourced from PubChem (CID 144982602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).