2,4-dichloro-6-methoxypyrimidine

C5H4Cl2N2O — CID 3824509

IUPAC2,4-dichloro-6-methoxypyrimidine
SMILESCOc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C5H4Cl2N2O/c1-10-4-2-3(6)8-5(7)9-4/h2H,1H3
InChIKeyZSNZDRHTTWBNGI-UHFFFAOYSA-N
MW179.01 g/mol
LogP1.79
Rot. Bonds1

About 2,4-dichloro-6-methoxypyrimidine

2,4-dichloro-6-methoxypyrimidine (PubChem CID 3824509) has the molecular formula C5H4Cl2N2O and a molecular weight of 179.01 g/mol. Its IUPAC name is 2,4-dichloro-6-methoxypyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-methoxypyrimidine
PubChem CID3824509
Molecular FormulaC5H4Cl2N2O
Molecular Weight179.01 g/mol
Exact Mass177.97
IUPAC Name2,4-dichloro-6-methoxypyrimidine
SMILESCOc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C5H4Cl2N2O/c1-10-4-2-3(6)8-5(7)9-4/h2H,1H3
InChIKeyZSNZDRHTTWBNGI-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 2,4-dichloro-6-methoxypyrimidine?
The IUPAC name of 2,4-dichloro-6-methoxypyrimidine (CID 3824509) is 2,4-dichloro-6-methoxypyrimidine.
What is the SMILES notation for 2,4-dichloro-6-methoxypyrimidine?
The canonical SMILES for 2,4-dichloro-6-methoxypyrimidine is COc1cc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-methoxypyrimidine?
The InChIKey is ZSNZDRHTTWBNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2N2O/c1-10-4-2-3(6)8-5(7)9-4/h2H,1H3.
What are the key properties of 2,4-dichloro-6-methoxypyrimidine?
2,4-dichloro-6-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 2,4-dichloro-6-methoxypyrimidine is sourced from PubChem (CID 3824509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).