methyl 4-[(5-fluoro-6-oxo-2-phenylmethoxypyrimidin-1-yl)methyl]benzoate

C20H17FN2O4 — CID 58844108

IUPACmethyl 4-[(5-fluoro-6-oxo-2-phenylmethoxypyrimidin-1-yl)methyl]benzoate
SMILESCOC(=O)c1ccc(Cn2c(OCc3ccccc3)ncc(F)c2=O)cc1
InChIInChI=1S/C20H17FN2O4/c1-26-19(25)16-9-7-14(8-10-16)12-23-18(24)17(21)11-22-20(23)27-13-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3
InChIKeyYDKGENYVMFAKCC-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.80
Rot. Bonds6

About methyl 4-[(5-fluoro-6-oxo-2-phenylmethoxypyrimidin-1-yl)methyl]benzoate

methyl 4-[(5-fluoro-6-oxo-2-phenylmethoxypyrimidin-1-yl)methyl]benzoate (PubChem CID 58844108) has the molecular formula C20H17FN2O4 and a molecular weight of 368.36 g/mol. Its IUPAC name is methyl 4-[(5-fluoro-6-oxo-2-phenylmethoxypyrimidin-1-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(5-fluoro-6-oxo-2-phenylmethoxypyrimidin-1-yl)methyl]benzoate
PubChem CID58844108
Molecular FormulaC20H17FN2O4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC Namemethyl 4-[(5-fluoro-6-oxo-2-phenylmethoxypyrimidin-1-yl)methyl]benzoate
SMILESCOC(=O)c1ccc(Cn2c(OCc3ccccc3)ncc(F)c2=O)cc1
InChIInChI=1S/C20H17FN2O4/c1-26-19(25)16-9-7-14(8-10-16)12-23-18(24)17(21)11-22-20(23)27-13-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3
InChIKeyYDKGENYVMFAKCC-UHFFFAOYSA-N
XLogP2.80
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[(4-oxo-3(4H)-quinazolinyl)methyl]benzoate
CID 977664
Sodium 2-[4-[(2-butyl-5-ethoxycarbonyl-6-oxopyrimidin-1-yl)methyl]phenyl]benzoate
CID 44362341
methyl 4-{[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]methyl}benzenecarboxylate
CID 1486027
Benzyl 5-fluoro-3-(2-methylbenzoyl)-2,4-dioxopyrimidine-1-carboxylate
CID 12690843
Methyl 4-{[[1-(2-fluorobenzyl)-3-piperidinyl](methyl)amino]carbonyl}benzoate
CID 23723538
Methyl 4-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzoate
CID 155523113
Methyl 4-[[ethyl-[7-[(4-fluorobenzoyl)-propan-2-ylamino]heptanoyl]amino]methyl]benzoate
CID 177377848
Methyl (2Z)-2-(4-fluorobenzylidene)-5-(4-(methoxycarbonyl)phenyl)-7-methyl-3-OX O-2,3-dihydro-5H-(1,3)thiazolo(3,2-A)pyrimidine-6-carboxylate
CID 6077220
Ethyl (2E)-2-(2-fluorobenzylidene)-5-(4-(methoxycarbonyl)phenyl)-7-methyl-3-OX O-2,3-dihydro-5H-(1,3)thiazolo(3,2-A)pyrimidine-6-carboxylate
CID 16427994
(4-Methylphenyl)methyl 3-[acetyl(benzoyl)amino]-4,4,4-trifluorobutanoate
CID 177699076
(4-Methoxycarbonylphenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 8107755
methyl 4-(11-oxo-2,3,4,11-tetrahydro-1H-dipyrido[1,2-a:4',3'-d]pyrimidine-2-carbonyl)benzoate
CID 91632406

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-fluoro-6-oxo-2-phenylmethoxypyrimidin-1-yl)methyl]benzoate?
The IUPAC name of methyl 4-[(5-fluoro-6-oxo-2-phenylmethoxypyrimidin-1-yl)methyl]benzoate (CID 58844108) is methyl 4-[(5-fluoro-6-oxo-2-phenylmethoxypyrimidin-1-yl)methyl]benzoate.
What is the SMILES notation for methyl 4-[(5-fluoro-6-oxo-2-phenylmethoxypyrimidin-1-yl)methyl]benzoate?
The canonical SMILES for methyl 4-[(5-fluoro-6-oxo-2-phenylmethoxypyrimidin-1-yl)methyl]benzoate is COC(=O)c1ccc(Cn2c(OCc3ccccc3)ncc(F)c2=O)cc1.
What is the InChIKey of methyl 4-[(5-fluoro-6-oxo-2-phenylmethoxypyrimidin-1-yl)methyl]benzoate?
The InChIKey is YDKGENYVMFAKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4/c1-26-19(25)16-9-7-14(8-10-16)12-23-18(24)17(21)11-22-20(23)27-13-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3.
What are the key properties of methyl 4-[(5-fluoro-6-oxo-2-phenylmethoxypyrimidin-1-yl)methyl]benzoate?
methyl 4-[(5-fluoro-6-oxo-2-phenylmethoxypyrimidin-1-yl)methyl]benzoate has a molecular weight of 368.36 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-fluoro-6-oxo-2-phenylmethoxypyrimidin-1-yl)methyl]benzoate is sourced from PubChem (CID 58844108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).