4,6-dichloro-2-methoxypyrimidine

C5H4Cl2N2O — CID 12052160

IUPAC4,6-dichloro-2-methoxypyrimidine
SMILESCOc1nc(Cl)cc(Cl)n1
InChIInChI=1S/C5H4Cl2N2O/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3
InChIKeyWDELVDLDINRUQF-UHFFFAOYSA-N
MW179.01 g/mol
LogP1.79
Rot. Bonds1

About 4,6-dichloro-2-methoxypyrimidine

4,6-dichloro-2-methoxypyrimidine (PubChem CID 12052160) has the molecular formula C5H4Cl2N2O and a molecular weight of 179.01 g/mol. Its IUPAC name is 4,6-dichloro-2-methoxypyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-methoxypyrimidine
PubChem CID12052160
Molecular FormulaC5H4Cl2N2O
Molecular Weight179.01 g/mol
Exact Mass177.97
IUPAC Name4,6-dichloro-2-methoxypyrimidine
SMILESCOc1nc(Cl)cc(Cl)n1
InChIInChI=1S/C5H4Cl2N2O/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3
InChIKeyWDELVDLDINRUQF-UHFFFAOYSA-N
XLogP1.79
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.01
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-methoxypyrimidine?
The IUPAC name of 4,6-dichloro-2-methoxypyrimidine (CID 12052160) is 4,6-dichloro-2-methoxypyrimidine.
What is the SMILES notation for 4,6-dichloro-2-methoxypyrimidine?
The canonical SMILES for 4,6-dichloro-2-methoxypyrimidine is COc1nc(Cl)cc(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-methoxypyrimidine?
The InChIKey is WDELVDLDINRUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2N2O/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3.
What are the key properties of 4,6-dichloro-2-methoxypyrimidine?
4,6-dichloro-2-methoxypyrimidine has a molecular weight of 179.01 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-methoxypyrimidine is sourced from PubChem (CID 12052160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).