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

C7H6Cl2N2O2 — CID 130056470

IUPACmethyl 4,6-dichloro-2-methylpyrimidine-5-carboxylate
SMILESCOC(=O)c1c(Cl)nc(C)nc1Cl
InChIInChI=1S/C7H6Cl2N2O2/c1-3-10-5(8)4(6(9)11-3)7(12)13-2/h1-2H3
InChIKeyKRJCPPFXBIIZLU-UHFFFAOYSA-N
MW221.04 g/mol
LogP1.88
Rot. Bonds1

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

methyl 4,6-dichloro-2-methylpyrimidine-5-carboxylate (PubChem CID 130056470) has the molecular formula C7H6Cl2N2O2 and a molecular weight of 221.04 g/mol. Its IUPAC name is methyl 4,6-dichloro-2-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4,6-dichloro-2-methylpyrimidine-5-carboxylate
PubChem CID130056470
Molecular FormulaC7H6Cl2N2O2
Molecular Weight221.04 g/mol
Exact Mass219.98
IUPAC Namemethyl 4,6-dichloro-2-methylpyrimidine-5-carboxylate
SMILESCOC(=O)c1c(Cl)nc(C)nc1Cl
InChIInChI=1S/C7H6Cl2N2O2/c1-3-10-5(8)4(6(9)11-3)7(12)13-2/h1-2H3
InChIKeyKRJCPPFXBIIZLU-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 4,6-dichloro-2-methylpyrimidine-5-carboxylate?
The IUPAC name of methyl 4,6-dichloro-2-methylpyrimidine-5-carboxylate (CID 130056470) is methyl 4,6-dichloro-2-methylpyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4,6-dichloro-2-methylpyrimidine-5-carboxylate?
The canonical SMILES for methyl 4,6-dichloro-2-methylpyrimidine-5-carboxylate is COC(=O)c1c(Cl)nc(C)nc1Cl.
What is the InChIKey of methyl 4,6-dichloro-2-methylpyrimidine-5-carboxylate?
The InChIKey is KRJCPPFXBIIZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O2/c1-3-10-5(8)4(6(9)11-3)7(12)13-2/h1-2H3.
What are the key properties of methyl 4,6-dichloro-2-methylpyrimidine-5-carboxylate?
methyl 4,6-dichloro-2-methylpyrimidine-5-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 4,6-dichloro-2-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 130056470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).