4,6-dichloro-2-(1-methoxyethyl)pyrimidine

C7H8Cl2N2O — CID 79617116

IUPAC4,6-dichloro-2-(1-methoxyethyl)pyrimidine
SMILESCOC(C)c1nc(Cl)cc(Cl)n1
InChIInChI=1S/C7H8Cl2N2O/c1-4(12-2)7-10-5(8)3-6(9)11-7/h3-4H,1-2H3
InChIKeyJULSPDFQDUUWSL-UHFFFAOYSA-N
MW207.06 g/mol
LogP2.49
Rot. Bonds2

About 4,6-dichloro-2-(1-methoxyethyl)pyrimidine

4,6-dichloro-2-(1-methoxyethyl)pyrimidine (PubChem CID 79617116) has the molecular formula C7H8Cl2N2O and a molecular weight of 207.06 g/mol. Its IUPAC name is 4,6-dichloro-2-(1-methoxyethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(1-methoxyethyl)pyrimidine
PubChem CID79617116
Molecular FormulaC7H8Cl2N2O
Molecular Weight207.06 g/mol
Exact Mass206.00
IUPAC Name4,6-dichloro-2-(1-methoxyethyl)pyrimidine
SMILESCOC(C)c1nc(Cl)cc(Cl)n1
InChIInChI=1S/C7H8Cl2N2O/c1-4(12-2)7-10-5(8)3-6(9)11-7/h3-4H,1-2H3
InChIKeyJULSPDFQDUUWSL-UHFFFAOYSA-N
XLogP2.49
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 52.49
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-(1-methoxyethyl)pyrimidine?
The IUPAC name of 4,6-dichloro-2-(1-methoxyethyl)pyrimidine (CID 79617116) is 4,6-dichloro-2-(1-methoxyethyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(1-methoxyethyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-2-(1-methoxyethyl)pyrimidine is COC(C)c1nc(Cl)cc(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-(1-methoxyethyl)pyrimidine?
The InChIKey is JULSPDFQDUUWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2O/c1-4(12-2)7-10-5(8)3-6(9)11-7/h3-4H,1-2H3.
What are the key properties of 4,6-dichloro-2-(1-methoxyethyl)pyrimidine?
4,6-dichloro-2-(1-methoxyethyl)pyrimidine has a molecular weight of 207.06 g/mol, XLogP of 2.49, 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-(1-methoxyethyl)pyrimidine is sourced from PubChem (CID 79617116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).