(2-benzoyloxy-6-methylpyrimidin-4-yl) benzoate

C19H14N2O4 — CID 10991243

IUPAC(2-benzoyloxy-6-methylpyrimidin-4-yl) benzoate
SMILESCc1cc(OC(=O)c2ccccc2)nc(OC(=O)c2ccccc2)n1
InChIInChI=1S/C19H14N2O4/c1-13-12-16(24-17(22)14-8-4-2-5-9-14)21-19(20-13)25-18(23)15-10-6-3-7-11-15/h2-12H,1H3
InChIKeyJRBWYIGTTGNYRO-UHFFFAOYSA-N
MW334.33 g/mol
LogP3.22
Rot. Bonds4

About (2-benzoyloxy-6-methylpyrimidin-4-yl) benzoate

(2-benzoyloxy-6-methylpyrimidin-4-yl) benzoate (PubChem CID 10991243) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is (2-benzoyloxy-6-methylpyrimidin-4-yl) benzoate.

Molecular Properties

Compound Name(2-benzoyloxy-6-methylpyrimidin-4-yl) benzoate
PubChem CID10991243
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Name(2-benzoyloxy-6-methylpyrimidin-4-yl) benzoate
SMILESCc1cc(OC(=O)c2ccccc2)nc(OC(=O)c2ccccc2)n1
InChIInChI=1S/C19H14N2O4/c1-13-12-16(24-17(22)14-8-4-2-5-9-14)21-19(20-13)25-18(23)15-10-6-3-7-11-15/h2-12H,1H3
InChIKeyJRBWYIGTTGNYRO-UHFFFAOYSA-N
XLogP3.22
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-benzoyloxy-6-methylpyrimidin-4-yl) benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Fluacrypyrim
CID 9954185
methyl 4-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-yl]oxy}benzoate
CID 658411
Ethyl 4-(2-chloro-6-methylpyrimidin-4-yloxy)benzoate
CID 1929655
Methyl 4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxybenzoate
CID 705813
4-[(2,6-Diphenyl-4-pyrimidinyl)oxy]benzaldehyde
CID 1082031
US10946019, Example 42
CID 129051969
Methyl 4-((2-(benzylamino)-6-methylpyrimidin-4-yl)oxy)benzoate
CID 659862
1-(4-((2-(Benzylamino)-6-methylpyrimidin-4-yl)oxy)phenyl)ethanone
CID 721063
4-Methylphenyl 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate
CID 1020609
2-(Methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinyl 3-methylbenzenecarboxylate
CID 1474910
2,6-Dimethyl-4-pyrimidinyl 2,4-dichlorobenzenecarboxylate
CID 1476061
2,6-Dimethyl-4-pyrimidinyl 2,4,6-trifluorobenzenecarboxylate
CID 1478952

Frequently Asked Questions

What is the IUPAC name of (2-benzoyloxy-6-methylpyrimidin-4-yl) benzoate?
The IUPAC name of (2-benzoyloxy-6-methylpyrimidin-4-yl) benzoate (CID 10991243) is (2-benzoyloxy-6-methylpyrimidin-4-yl) benzoate.
What is the SMILES notation for (2-benzoyloxy-6-methylpyrimidin-4-yl) benzoate?
The canonical SMILES for (2-benzoyloxy-6-methylpyrimidin-4-yl) benzoate is Cc1cc(OC(=O)c2ccccc2)nc(OC(=O)c2ccccc2)n1.
What is the InChIKey of (2-benzoyloxy-6-methylpyrimidin-4-yl) benzoate?
The InChIKey is JRBWYIGTTGNYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c1-13-12-16(24-17(22)14-8-4-2-5-9-14)21-19(20-13)25-18(23)15-10-6-3-7-11-15/h2-12H,1H3.
What are the key properties of (2-benzoyloxy-6-methylpyrimidin-4-yl) benzoate?
(2-benzoyloxy-6-methylpyrimidin-4-yl) benzoate has a molecular weight of 334.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzoyloxy-6-methylpyrimidin-4-yl) benzoate is sourced from PubChem (CID 10991243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).