4-(chloromethyl)-2,6-dimethoxypyrimidine

C7H9ClN2O2 — CID 86109800

IUPAC4-(chloromethyl)-2,6-dimethoxypyrimidine
SMILESCOc1cc(CCl)nc(OC)n1
InChIInChI=1S/C7H9ClN2O2/c1-11-6-3-5(4-8)9-7(10-6)12-2/h3H,4H2,1-2H3
InChIKeyLVRFJERFDMIEMS-UHFFFAOYSA-N
MW188.61 g/mol
LogP1.23
Rot. Bonds3

About 4-(chloromethyl)-2,6-dimethoxypyrimidine

4-(chloromethyl)-2,6-dimethoxypyrimidine (PubChem CID 86109800) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 4-(chloromethyl)-2,6-dimethoxypyrimidine.

Molecular Properties

Compound Name4-(chloromethyl)-2,6-dimethoxypyrimidine
PubChem CID86109800
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name4-(chloromethyl)-2,6-dimethoxypyrimidine
SMILESCOc1cc(CCl)nc(OC)n1
InChIInChI=1S/C7H9ClN2O2/c1-11-6-3-5(4-8)9-7(10-6)12-2/h3H,4H2,1-2H3
InChIKeyLVRFJERFDMIEMS-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2,6-dimethoxypyrimidine?
The IUPAC name of 4-(chloromethyl)-2,6-dimethoxypyrimidine (CID 86109800) is 4-(chloromethyl)-2,6-dimethoxypyrimidine.
What is the SMILES notation for 4-(chloromethyl)-2,6-dimethoxypyrimidine?
The canonical SMILES for 4-(chloromethyl)-2,6-dimethoxypyrimidine is COc1cc(CCl)nc(OC)n1.
What is the InChIKey of 4-(chloromethyl)-2,6-dimethoxypyrimidine?
The InChIKey is LVRFJERFDMIEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c1-11-6-3-5(4-8)9-7(10-6)12-2/h3H,4H2,1-2H3.
What are the key properties of 4-(chloromethyl)-2,6-dimethoxypyrimidine?
4-(chloromethyl)-2,6-dimethoxypyrimidine has a molecular weight of 188.61 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2,6-dimethoxypyrimidine is sourced from PubChem (CID 86109800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).