methyl 4-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)benzoate

C19H16N2O3 — CID 137316253

IUPACmethyl 4-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)benzoate
SMILESCOC(=O)c1ccc(-c2nc(-c3ccccc3)c(C)c(=O)[nH]2)cc1
InChIInChI=1S/C19H16N2O3/c1-12-16(13-6-4-3-5-7-13)20-17(21-18(12)22)14-8-10-15(11-9-14)19(23)24-2/h3-11H,1-2H3,(H,20,21,22)
InChIKeyDLLFVDPLNUWUGM-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.20
Rot. Bonds3

About methyl 4-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)benzoate

methyl 4-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)benzoate (PubChem CID 137316253) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is methyl 4-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)benzoate
PubChem CID137316253
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Namemethyl 4-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)benzoate
SMILESCOC(=O)c1ccc(-c2nc(-c3ccccc3)c(C)c(=O)[nH]2)cc1
InChIInChI=1S/C19H16N2O3/c1-12-16(13-6-4-3-5-7-13)20-17(21-18(12)22)14-8-10-15(11-9-14)19(23)24-2/h3-11H,1-2H3,(H,20,21,22)
InChIKeyDLLFVDPLNUWUGM-UHFFFAOYSA-N
XLogP3.20
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(5-methyl-6-oxo-2-phenyl-1H-pyrimidin-4-yl)benzoate
CID 137316255
methyl 4-(4-oxo-3H-quinazolin-2-yl)benzoate
CID 135476431
5-methyl-2-phenyl-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135753934
5-methyl-4-phenyl-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136764386
methyl 4-oxo-2-phenyl-3,9-dihydropyrimido[4,5-b]indole-7-carboxylate
CID 136953100
N-[4-(4-methoxyphenyl)-6-oxo-2-phenyl-1H-pyrimidin-5-yl]acetamide
CID 136815025
4-(3-chlorophenyl)-5-methyl-2-phenyl-1H-pyrimidin-6-one
CID 135453967
2-(3-aminophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764468
5-methyl-2,4-dipyridin-4-yl-1H-pyrimidin-6-one
CID 135581354
methyl 4-(3,4-dimethylphenyl)-2-phenyl-1H-imidazole-5-carboxylate
CID 156703614
2-(2-chlorophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764407
2-(3-bromo-2-pyridinyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764381

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)benzoate?
The IUPAC name of methyl 4-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)benzoate (CID 137316253) is methyl 4-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)benzoate.
What is the SMILES notation for methyl 4-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)benzoate?
The canonical SMILES for methyl 4-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)benzoate is COC(=O)c1ccc(-c2nc(-c3ccccc3)c(C)c(=O)[nH]2)cc1.
What is the InChIKey of methyl 4-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)benzoate?
The InChIKey is DLLFVDPLNUWUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-12-16(13-6-4-3-5-7-13)20-17(21-18(12)22)14-8-10-15(11-9-14)19(23)24-2/h3-11H,1-2H3,(H,20,21,22).
What are the key properties of methyl 4-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)benzoate?
methyl 4-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)benzoate has a molecular weight of 320.35 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)benzoate is sourced from PubChem (CID 137316253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).