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

C13H10Cl2N2O2 — CID 1476064

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

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

(4,6-dimethylpyrimidin-2-yl) 2,4-dichlorobenzoate (PubChem CID 1476064) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is (4,6-dimethylpyrimidin-2-yl) 2,4-dichlorobenzoate.

Molecular Properties

Compound Name(4,6-dimethylpyrimidin-2-yl) 2,4-dichlorobenzoate
PubChem CID1476064
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Name(4,6-dimethylpyrimidin-2-yl) 2,4-dichlorobenzoate
SMILESCc1cc(C)nc(OC(=O)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C13H10Cl2N2O2/c1-7-5-8(2)17-13(16-7)19-12(18)10-4-3-9(14)6-11(10)15/h3-6H,1-2H3
InChIKeyMZTZZPPYNVNKOH-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

2,6-Dimethyl-4-pyrimidinyl 2,4-dichlorobenzenecarboxylate
CID 1476061
2,6-Dimethyl-4-pyrimidinyl 2,6-dichlorobenzenecarboxylate
CID 1476072
2,6-Dimethyl-4-pyrimidinyl 2,4,6-trichlorobenzenecarboxylate
CID 1476068
4,6-Dimethyl-2-pyrimidinyl 2,4,6-trichlorobenzenecarboxylate
CID 1476069
Pyrimethaminium 2,4-dichlorobenzoate
CID 139060860
(6-Methyl-2-propan-2-ylpyrimidin-4-yl) 4-chlorobenzoate
CID 76323190
Methyl 4-((2-amino-4-chloro-6-methylpyrimidin-5-yl)methyl)-3-fluorobenzoate
CID 86633399
Methyl 3-((2-amino-4-chloro-6-methylpyrimidin-5-yl)methyl)-4-fluorobenzoate
CID 87634636
Methyl 2-chloro-6-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxylate
CID 172612172
(2-Methoxy-6-methylpyrimidin-4-yl) 4-chlorobenzoate
CID 10084978
Ethyl 2-amino-6-(4-chlorophenyl)-4-methylpyrimidine-5-carboxylate
CID 54851657
4-Amino-5-chloro-2,6-dimethylpyrimidine-2,4-dichlorobenzoic acid (1/1)
CID 139062733

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethylpyrimidin-2-yl) 2,4-dichlorobenzoate?
The IUPAC name of (4,6-dimethylpyrimidin-2-yl) 2,4-dichlorobenzoate (CID 1476064) is (4,6-dimethylpyrimidin-2-yl) 2,4-dichlorobenzoate.
What is the SMILES notation for (4,6-dimethylpyrimidin-2-yl) 2,4-dichlorobenzoate?
The canonical SMILES for (4,6-dimethylpyrimidin-2-yl) 2,4-dichlorobenzoate is Cc1cc(C)nc(OC(=O)c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of (4,6-dimethylpyrimidin-2-yl) 2,4-dichlorobenzoate?
The InChIKey is MZTZZPPYNVNKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c1-7-5-8(2)17-13(16-7)19-12(18)10-4-3-9(14)6-11(10)15/h3-6H,1-2H3.
What are the key properties of (4,6-dimethylpyrimidin-2-yl) 2,4-dichlorobenzoate?
(4,6-dimethylpyrimidin-2-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 (4,6-dimethylpyrimidin-2-yl) 2,4-dichlorobenzoate is sourced from PubChem (CID 1476064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).