(2,6-dimethylpyrimidin-4-yl) 2,4-dichlorobenzoate

C13H10Cl2N2O2 — CID 1476061

IUPAC(2,6-dimethylpyrimidin-4-yl) 2,4-dichlorobenzoate
SMILESCc1cc(OC(=O)c2ccc(Cl)cc2Cl)nc(C)n1
InChIInChI=1S/C13H10Cl2N2O2/c1-7-5-12(17-8(2)16-7)19-13(18)10-4-3-9(14)6-11(10)15/h3-6H,1-2H3
InChIKeyKVWGWLYVGGZBSZ-UHFFFAOYSA-N
MW297.14 g/mol
LogP3.62
Rot. Bonds2

About (2,6-dimethylpyrimidin-4-yl) 2,4-dichlorobenzoate

(2,6-dimethylpyrimidin-4-yl) 2,4-dichlorobenzoate (PubChem CID 1476061) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is (2,6-dimethylpyrimidin-4-yl) 2,4-dichlorobenzoate.

Molecular Properties

Compound Name(2,6-dimethylpyrimidin-4-yl) 2,4-dichlorobenzoate
PubChem CID1476061
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Name(2,6-dimethylpyrimidin-4-yl) 2,4-dichlorobenzoate
SMILESCc1cc(OC(=O)c2ccc(Cl)cc2Cl)nc(C)n1
InChIInChI=1S/C13H10Cl2N2O2/c1-7-5-12(17-8(2)16-7)19-13(18)10-4-3-9(14)6-11(10)15/h3-6H,1-2H3
InChIKeyKVWGWLYVGGZBSZ-UHFFFAOYSA-N
XLogP3.62
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2,4-dichlorobenzoate
CID 134105910
(3,4-dichlorophenyl) 2,4-dichlorobenzoate
CID 2805035
prop-1-en-2-yl 2,4-dichlorobenzoate
CID 89323884
(6-oxo-1,2-diphenylpyrimidin-4-yl) 2,4-dichlorobenzoate
CID 3430707
(1-phenylpyrazol-3-yl) 2,4-dichlorobenzoate
CID 139593811
N-(2,4-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110864036
(2-methoxycarbonylphenyl) 2,4-dichlorobenzoate
CID 837741
1-(2,4-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-one
CID 62306346
[(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 2,4-dichlorobenzoate
CID 7766702
[bis[(2,4-dichlorobenzoyl)oxy]methoxy-(2,4-dichlorobenzoyl)oxymethyl] 2,4-dichlorobenzoate
CID 57177466
[5-amino-1-(4-chlorophenyl)sulfonylpyrazol-3-yl] 2,4-dichlorobenzoate
CID 4292383
(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl) 2,4-dichlorobenzoate
CID 3464763

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpyrimidin-4-yl) 2,4-dichlorobenzoate?
The IUPAC name of (2,6-dimethylpyrimidin-4-yl) 2,4-dichlorobenzoate (CID 1476061) is (2,6-dimethylpyrimidin-4-yl) 2,4-dichlorobenzoate.
What is the SMILES notation for (2,6-dimethylpyrimidin-4-yl) 2,4-dichlorobenzoate?
The canonical SMILES for (2,6-dimethylpyrimidin-4-yl) 2,4-dichlorobenzoate is Cc1cc(OC(=O)c2ccc(Cl)cc2Cl)nc(C)n1.
What is the InChIKey of (2,6-dimethylpyrimidin-4-yl) 2,4-dichlorobenzoate?
The InChIKey is KVWGWLYVGGZBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c1-7-5-12(17-8(2)16-7)19-13(18)10-4-3-9(14)6-11(10)15/h3-6H,1-2H3.
What are the key properties of (2,6-dimethylpyrimidin-4-yl) 2,4-dichlorobenzoate?
(2,6-dimethylpyrimidin-4-yl) 2,4-dichlorobenzoate has a molecular weight of 297.14 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpyrimidin-4-yl) 2,4-dichlorobenzoate is sourced from PubChem (CID 1476061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).