(6-oxo-1,2-diphenylpyrimidin-4-yl) 2,4-dichlorobenzoate

C23H14Cl2N2O3 — CID 3430707

IUPAC(6-oxo-1,2-diphenylpyrimidin-4-yl) 2,4-dichlorobenzoate
SMILESO=C(Oc1cc(=O)n(-c2ccccc2)c(-c2ccccc2)n1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H14Cl2N2O3/c24-16-11-12-18(19(25)13-16)23(29)30-20-14-21(28)27(17-9-5-2-6-10-17)22(26-20)15-7-3-1-4-8-15/h1-14H
InChIKeyVQCSMWDOELYAGY-UHFFFAOYSA-N
MW437.28 g/mol
LogP5.43
Rot. Bonds4

About (6-oxo-1,2-diphenylpyrimidin-4-yl) 2,4-dichlorobenzoate

(6-oxo-1,2-diphenylpyrimidin-4-yl) 2,4-dichlorobenzoate (PubChem CID 3430707) has the molecular formula C23H14Cl2N2O3 and a molecular weight of 437.28 g/mol. Its IUPAC name is (6-oxo-1,2-diphenylpyrimidin-4-yl) 2,4-dichlorobenzoate.

Molecular Properties

Compound Name(6-oxo-1,2-diphenylpyrimidin-4-yl) 2,4-dichlorobenzoate
PubChem CID3430707
Molecular FormulaC23H14Cl2N2O3
Molecular Weight437.28 g/mol
Exact Mass436.04
IUPAC Name(6-oxo-1,2-diphenylpyrimidin-4-yl) 2,4-dichlorobenzoate
SMILESO=C(Oc1cc(=O)n(-c2ccccc2)c(-c2ccccc2)n1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H14Cl2N2O3/c24-16-11-12-18(19(25)13-16)23(29)30-20-14-21(28)27(17-9-5-2-6-10-17)22(26-20)15-7-3-1-4-8-15/h1-14H
InChIKeyVQCSMWDOELYAGY-UHFFFAOYSA-N
XLogP5.43
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.28
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-phenylpyrazol-3-yl) 2,4-dichlorobenzoate
CID 139593811
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2,4-dichlorobenzoate
CID 134105910
(2,6-dimethylpyrimidin-4-yl) 2,4-dichlorobenzoate
CID 1476061
2,3,6-triphenylpyrimidin-4-one
CID 13280772
(4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate
CID 10804213
(2,4-dichlorophenyl)-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone
CID 42727132
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate
CID 134105909
[4-chloro-2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] 2,4-dichlorobenzoate
CID 4237659
(3,4-dichlorophenyl) 2,4-dichlorobenzoate
CID 2805035
(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl) 2,4-dichlorobenzoate
CID 3464763
2,3-diphenyl-6-(trifluoromethyl)pyrimidin-4-one
CID 59120436
[3-methyl-4-(4-methylphenyl)sulfanyl-1-phenylpyrazol-5-yl] 2,4-dichlorobenzoate
CID 3651847

Frequently Asked Questions

What is the IUPAC name of (6-oxo-1,2-diphenylpyrimidin-4-yl) 2,4-dichlorobenzoate?
The IUPAC name of (6-oxo-1,2-diphenylpyrimidin-4-yl) 2,4-dichlorobenzoate (CID 3430707) is (6-oxo-1,2-diphenylpyrimidin-4-yl) 2,4-dichlorobenzoate.
What is the SMILES notation for (6-oxo-1,2-diphenylpyrimidin-4-yl) 2,4-dichlorobenzoate?
The canonical SMILES for (6-oxo-1,2-diphenylpyrimidin-4-yl) 2,4-dichlorobenzoate is O=C(Oc1cc(=O)n(-c2ccccc2)c(-c2ccccc2)n1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (6-oxo-1,2-diphenylpyrimidin-4-yl) 2,4-dichlorobenzoate?
The InChIKey is VQCSMWDOELYAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2N2O3/c24-16-11-12-18(19(25)13-16)23(29)30-20-14-21(28)27(17-9-5-2-6-10-17)22(26-20)15-7-3-1-4-8-15/h1-14H.
What are the key properties of (6-oxo-1,2-diphenylpyrimidin-4-yl) 2,4-dichlorobenzoate?
(6-oxo-1,2-diphenylpyrimidin-4-yl) 2,4-dichlorobenzoate has a molecular weight of 437.28 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-oxo-1,2-diphenylpyrimidin-4-yl) 2,4-dichlorobenzoate is sourced from PubChem (CID 3430707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).