methyl 2,6-dichloro-5-methylpyrimidine-4-carboxylate

C7H6Cl2N2O2 — CID 59152418

IUPACmethyl 2,6-dichloro-5-methylpyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(Cl)nc(Cl)c1C
InChIInChI=1S/C7H6Cl2N2O2/c1-3-4(6(12)13-2)10-7(9)11-5(3)8/h1-2H3
InChIKeyCFGVNASOOGRARC-UHFFFAOYSA-N
MW221.04 g/mol
LogP1.88
Rot. Bonds1

About methyl 2,6-dichloro-5-methylpyrimidine-4-carboxylate

methyl 2,6-dichloro-5-methylpyrimidine-4-carboxylate (PubChem CID 59152418) has the molecular formula C7H6Cl2N2O2 and a molecular weight of 221.04 g/mol. Its IUPAC name is methyl 2,6-dichloro-5-methylpyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2,6-dichloro-5-methylpyrimidine-4-carboxylate
PubChem CID59152418
Molecular FormulaC7H6Cl2N2O2
Molecular Weight221.04 g/mol
Exact Mass219.98
IUPAC Namemethyl 2,6-dichloro-5-methylpyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(Cl)nc(Cl)c1C
InChIInChI=1S/C7H6Cl2N2O2/c1-3-4(6(12)13-2)10-7(9)11-5(3)8/h1-2H3
InChIKeyCFGVNASOOGRARC-UHFFFAOYSA-N
XLogP1.88
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.04
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2,6-dichloro-5-methylpyrimidine-4-carboxylate?
The IUPAC name of methyl 2,6-dichloro-5-methylpyrimidine-4-carboxylate (CID 59152418) is methyl 2,6-dichloro-5-methylpyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2,6-dichloro-5-methylpyrimidine-4-carboxylate?
The canonical SMILES for methyl 2,6-dichloro-5-methylpyrimidine-4-carboxylate is COC(=O)c1nc(Cl)nc(Cl)c1C.
What is the InChIKey of methyl 2,6-dichloro-5-methylpyrimidine-4-carboxylate?
The InChIKey is CFGVNASOOGRARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O2/c1-3-4(6(12)13-2)10-7(9)11-5(3)8/h1-2H3.
What are the key properties of methyl 2,6-dichloro-5-methylpyrimidine-4-carboxylate?
methyl 2,6-dichloro-5-methylpyrimidine-4-carboxylate has a molecular weight of 221.04 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,6-dichloro-5-methylpyrimidine-4-carboxylate is sourced from PubChem (CID 59152418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).