4-(dimethoxymethyl)-2-methylpyrimidine

C8H12N2O2 — CID 2799572

IUPAC4-(dimethoxymethyl)-2-methylpyrimidine
SMILESCOC(OC)c1ccnc(C)n1
InChIInChI=1S/C8H12N2O2/c1-6-9-5-4-7(10-6)8(11-2)12-3/h4-5,8H,1-3H3
InChIKeyVDXHJWMLYFVGDL-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.08
Rot. Bonds3

About 4-(dimethoxymethyl)-2-methylpyrimidine

4-(dimethoxymethyl)-2-methylpyrimidine (PubChem CID 2799572) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-methylpyrimidine.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-methylpyrimidine
PubChem CID2799572
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name4-(dimethoxymethyl)-2-methylpyrimidine
SMILESCOC(OC)c1ccnc(C)n1
InChIInChI=1S/C8H12N2O2/c1-6-9-5-4-7(10-6)8(11-2)12-3/h4-5,8H,1-3H3
InChIKeyVDXHJWMLYFVGDL-UHFFFAOYSA-N
XLogP1.08
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-2-methylpyrimidine?
The IUPAC name of 4-(dimethoxymethyl)-2-methylpyrimidine (CID 2799572) is 4-(dimethoxymethyl)-2-methylpyrimidine.
What is the SMILES notation for 4-(dimethoxymethyl)-2-methylpyrimidine?
The canonical SMILES for 4-(dimethoxymethyl)-2-methylpyrimidine is COC(OC)c1ccnc(C)n1.
What is the InChIKey of 4-(dimethoxymethyl)-2-methylpyrimidine?
The InChIKey is VDXHJWMLYFVGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6-9-5-4-7(10-6)8(11-2)12-3/h4-5,8H,1-3H3.
What are the key properties of 4-(dimethoxymethyl)-2-methylpyrimidine?
4-(dimethoxymethyl)-2-methylpyrimidine has a molecular weight of 168.20 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-methylpyrimidine is sourced from PubChem (CID 2799572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).