5-chloro-4-methoxy-6-(methoxymethyl)pyrimidine

C7H9ClN2O2 — CID 129090872

IUPAC5-chloro-4-methoxy-6-(methoxymethyl)pyrimidine
SMILESCOCc1ncnc(OC)c1Cl
InChIInChI=1S/C7H9ClN2O2/c1-11-3-5-6(8)7(12-2)10-4-9-5/h4H,3H2,1-2H3
InChIKeyDGVKMMAPZVMDMD-UHFFFAOYSA-N
MW188.61 g/mol
LogP1.28
Rot. Bonds3

About 5-chloro-4-methoxy-6-(methoxymethyl)pyrimidine

5-chloro-4-methoxy-6-(methoxymethyl)pyrimidine (PubChem CID 129090872) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 5-chloro-4-methoxy-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name5-chloro-4-methoxy-6-(methoxymethyl)pyrimidine
PubChem CID129090872
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name5-chloro-4-methoxy-6-(methoxymethyl)pyrimidine
SMILESCOCc1ncnc(OC)c1Cl
InChIInChI=1S/C7H9ClN2O2/c1-11-3-5-6(8)7(12-2)10-4-9-5/h4H,3H2,1-2H3
InChIKeyDGVKMMAPZVMDMD-UHFFFAOYSA-N
XLogP1.28
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methoxy-6-(methoxymethyl)pyrimidine?
The IUPAC name of 5-chloro-4-methoxy-6-(methoxymethyl)pyrimidine (CID 129090872) is 5-chloro-4-methoxy-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 5-chloro-4-methoxy-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 5-chloro-4-methoxy-6-(methoxymethyl)pyrimidine is COCc1ncnc(OC)c1Cl.
What is the InChIKey of 5-chloro-4-methoxy-6-(methoxymethyl)pyrimidine?
The InChIKey is DGVKMMAPZVMDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c1-11-3-5-6(8)7(12-2)10-4-9-5/h4H,3H2,1-2H3.
What are the key properties of 5-chloro-4-methoxy-6-(methoxymethyl)pyrimidine?
5-chloro-4-methoxy-6-(methoxymethyl)pyrimidine has a molecular weight of 188.61 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methoxy-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 129090872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).