methyl 3-fluoro-2-hydroxy-5-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)benzoate

C24H19FN2O4 — CID 123877702

IUPACmethyl 3-fluoro-2-hydroxy-5-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)benzoate
SMILESCOC(=O)c1cc(C2NC(=O)N=C(c3ccccc3)C2c2ccccc2)cc(F)c1O
InChIInChI=1S/C24H19FN2O4/c1-31-23(29)17-12-16(13-18(25)22(17)28)21-19(14-8-4-2-5-9-14)20(26-24(30)27-21)15-10-6-3-7-11-15/h2-13,19,21,28H,1H3,(H,27,30)
InChIKeyCVEJWXTWSVFQOO-UHFFFAOYSA-N
MW418.42 g/mol
LogP4.36
Rot. Bonds4

About methyl 3-fluoro-2-hydroxy-5-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)benzoate

methyl 3-fluoro-2-hydroxy-5-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)benzoate (PubChem CID 123877702) has the molecular formula C24H19FN2O4 and a molecular weight of 418.42 g/mol. Its IUPAC name is methyl 3-fluoro-2-hydroxy-5-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-fluoro-2-hydroxy-5-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)benzoate
PubChem CID123877702
Molecular FormulaC24H19FN2O4
Molecular Weight418.42 g/mol
Exact Mass418.13
IUPAC Namemethyl 3-fluoro-2-hydroxy-5-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)benzoate
SMILESCOC(=O)c1cc(C2NC(=O)N=C(c3ccccc3)C2c2ccccc2)cc(F)c1O
InChIInChI=1S/C24H19FN2O4/c1-31-23(29)17-12-16(13-18(25)22(17)28)21-19(14-8-4-2-5-9-14)20(26-24(30)27-21)15-10-6-3-7-11-15/h2-13,19,21,28H,1H3,(H,27,30)
InChIKeyCVEJWXTWSVFQOO-UHFFFAOYSA-N
XLogP4.36
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-fluoro-2-hydroxy-5-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)benzoate with MolForge

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Related Compounds

3-fluoro-2-hydroxy-5-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid
CID 51349357
methyl 3-fluoro-2-hydroxy-5-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzoate
CID 67061120
3-fluoro-2-hydroxy-5-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)benzoic acid
CID 123400021
2-fluoro-6-hydroxy-4-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)benzoic acid
CID 123654841
3-fluoro-2-[2-fluoro-4-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)benzoyl]oxy-5-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)benzoic acid
CID 123696341
N-[2-(2-fluorophenyl)ethyl]-3-[6-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-4-yl]benzamide
CID 136052103
methyl 5-[[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]carbamoylamino]methyl]-2-methoxybenzoate
CID 41294957
methyl 5-[[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]carbamoylamino]methyl]-2-methoxybenzoate
CID 41294959
Methyl 5-[[[1-(4-fluorophenyl)-2-methylpropyl]carbamoylamino]methyl]-2-methoxybenzoate
CID 42934566
Methyl 5-[[[[(4-fluorophenyl)-phenylmethyl]-methylcarbamoyl]amino]methyl]-2-methoxybenzoate
CID 78888136
ethyl 6-[3-[(2-ethoxycarbonylphenoxy)methyl]-4-methoxyphenyl]-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 145925325
2-Hydroxy-5-(2-oxo-5,6-diphenyl-1,2,3,4-tetrahydropyrimidin-4-yl)benzoic acid
CID 66825067

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-2-hydroxy-5-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)benzoate?
The IUPAC name of methyl 3-fluoro-2-hydroxy-5-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)benzoate (CID 123877702) is methyl 3-fluoro-2-hydroxy-5-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)benzoate.
What is the SMILES notation for methyl 3-fluoro-2-hydroxy-5-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)benzoate?
The canonical SMILES for methyl 3-fluoro-2-hydroxy-5-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)benzoate is COC(=O)c1cc(C2NC(=O)N=C(c3ccccc3)C2c2ccccc2)cc(F)c1O.
What is the InChIKey of methyl 3-fluoro-2-hydroxy-5-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)benzoate?
The InChIKey is CVEJWXTWSVFQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O4/c1-31-23(29)17-12-16(13-18(25)22(17)28)21-19(14-8-4-2-5-9-14)20(26-24(30)27-21)15-10-6-3-7-11-15/h2-13,19,21,28H,1H3,(H,27,30).
What are the key properties of methyl 3-fluoro-2-hydroxy-5-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)benzoate?
methyl 3-fluoro-2-hydroxy-5-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)benzoate has a molecular weight of 418.42 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-2-hydroxy-5-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)benzoate is sourced from PubChem (CID 123877702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).