4-(2,2-dimethoxyethyl)-2,6-dimethylpyrimidine

C10H16N2O2 — CID 13227316

IUPAC4-(2,2-dimethoxyethyl)-2,6-dimethylpyrimidine
SMILESCOC(Cc1cc(C)nc(C)n1)OC
InChIInChI=1S/C10H16N2O2/c1-7-5-9(12-8(2)11-7)6-10(13-3)14-4/h5,10H,6H2,1-4H3
InChIKeyGKUDXTHPWOZRJD-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.25
Rot. Bonds4

About 4-(2,2-dimethoxyethyl)-2,6-dimethylpyrimidine

4-(2,2-dimethoxyethyl)-2,6-dimethylpyrimidine (PubChem CID 13227316) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(2,2-dimethoxyethyl)-2,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-(2,2-dimethoxyethyl)-2,6-dimethylpyrimidine
PubChem CID13227316
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-(2,2-dimethoxyethyl)-2,6-dimethylpyrimidine
SMILESCOC(Cc1cc(C)nc(C)n1)OC
InChIInChI=1S/C10H16N2O2/c1-7-5-9(12-8(2)11-7)6-10(13-3)14-4/h5,10H,6H2,1-4H3
InChIKeyGKUDXTHPWOZRJD-UHFFFAOYSA-N
XLogP1.25
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.25
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-(2,2-dimethoxyethyl)-2,6-dimethylpyrimidine?
The IUPAC name of 4-(2,2-dimethoxyethyl)-2,6-dimethylpyrimidine (CID 13227316) is 4-(2,2-dimethoxyethyl)-2,6-dimethylpyrimidine.
What is the SMILES notation for 4-(2,2-dimethoxyethyl)-2,6-dimethylpyrimidine?
The canonical SMILES for 4-(2,2-dimethoxyethyl)-2,6-dimethylpyrimidine is COC(Cc1cc(C)nc(C)n1)OC.
What is the InChIKey of 4-(2,2-dimethoxyethyl)-2,6-dimethylpyrimidine?
The InChIKey is GKUDXTHPWOZRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7-5-9(12-8(2)11-7)6-10(13-3)14-4/h5,10H,6H2,1-4H3.
What are the key properties of 4-(2,2-dimethoxyethyl)-2,6-dimethylpyrimidine?
4-(2,2-dimethoxyethyl)-2,6-dimethylpyrimidine has a molecular weight of 196.25 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethoxyethyl)-2,6-dimethylpyrimidine is sourced from PubChem (CID 13227316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).