4,6-dichloro-2-(methoxymethyl)pyrimidine

C6H6Cl2N2O — CID 53438121

IUPAC4,6-dichloro-2-(methoxymethyl)pyrimidine
SMILESCOCc1nc(Cl)cc(Cl)n1
InChIInChI=1S/C6H6Cl2N2O/c1-11-3-6-9-4(7)2-5(8)10-6/h2H,3H2,1H3
InChIKeyJEGIGVNQAHMOII-UHFFFAOYSA-N
MW193.03 g/mol
LogP1.93
Rot. Bonds2

About 4,6-dichloro-2-(methoxymethyl)pyrimidine

4,6-dichloro-2-(methoxymethyl)pyrimidine (PubChem CID 53438121) has the molecular formula C6H6Cl2N2O and a molecular weight of 193.03 g/mol. Its IUPAC name is 4,6-dichloro-2-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(methoxymethyl)pyrimidine
PubChem CID53438121
Molecular FormulaC6H6Cl2N2O
Molecular Weight193.03 g/mol
Exact Mass191.99
IUPAC Name4,6-dichloro-2-(methoxymethyl)pyrimidine
SMILESCOCc1nc(Cl)cc(Cl)n1
InChIInChI=1S/C6H6Cl2N2O/c1-11-3-6-9-4(7)2-5(8)10-6/h2H,3H2,1H3
InChIKeyJEGIGVNQAHMOII-UHFFFAOYSA-N
XLogP1.93
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.03
LogP ≤ 51.93
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-(methoxymethyl)pyrimidine?
The IUPAC name of 4,6-dichloro-2-(methoxymethyl)pyrimidine (CID 53438121) is 4,6-dichloro-2-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(methoxymethyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-2-(methoxymethyl)pyrimidine is COCc1nc(Cl)cc(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-(methoxymethyl)pyrimidine?
The InChIKey is JEGIGVNQAHMOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2O/c1-11-3-6-9-4(7)2-5(8)10-6/h2H,3H2,1H3.
What are the key properties of 4,6-dichloro-2-(methoxymethyl)pyrimidine?
4,6-dichloro-2-(methoxymethyl)pyrimidine has a molecular weight of 193.03 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(methoxymethyl)pyrimidine is sourced from PubChem (CID 53438121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).