5-tert-butyl-4-methoxy-2-methylpyrimidine

C10H16N2O — CID 58524964

IUPAC5-tert-butyl-4-methoxy-2-methylpyrimidine
SMILESCOc1nc(C)ncc1C(C)(C)C
InChIInChI=1S/C10H16N2O/c1-7-11-6-8(10(2,3)4)9(12-7)13-5/h6H,1-5H3
InChIKeyINDQZHHGLNNXLS-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.09
Rot. Bonds1

About 5-tert-butyl-4-methoxy-2-methylpyrimidine

5-tert-butyl-4-methoxy-2-methylpyrimidine (PubChem CID 58524964) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-tert-butyl-4-methoxy-2-methylpyrimidine.

Molecular Properties

Compound Name5-tert-butyl-4-methoxy-2-methylpyrimidine
PubChem CID58524964
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name5-tert-butyl-4-methoxy-2-methylpyrimidine
SMILESCOc1nc(C)ncc1C(C)(C)C
InChIInChI=1S/C10H16N2O/c1-7-11-6-8(10(2,3)4)9(12-7)13-5/h6H,1-5H3
InChIKeyINDQZHHGLNNXLS-UHFFFAOYSA-N
XLogP2.09
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-tert-butyl-4-methoxy-2-methylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-methoxy-2-methylpyrimidine?
The IUPAC name of 5-tert-butyl-4-methoxy-2-methylpyrimidine (CID 58524964) is 5-tert-butyl-4-methoxy-2-methylpyrimidine.
What is the SMILES notation for 5-tert-butyl-4-methoxy-2-methylpyrimidine?
The canonical SMILES for 5-tert-butyl-4-methoxy-2-methylpyrimidine is COc1nc(C)ncc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-4-methoxy-2-methylpyrimidine?
The InChIKey is INDQZHHGLNNXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7-11-6-8(10(2,3)4)9(12-7)13-5/h6H,1-5H3.
What are the key properties of 5-tert-butyl-4-methoxy-2-methylpyrimidine?
5-tert-butyl-4-methoxy-2-methylpyrimidine has a molecular weight of 180.25 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-methoxy-2-methylpyrimidine is sourced from PubChem (CID 58524964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).