4-butyl-2-tert-butyl-6-methylpyrimidine

C13H22N2 — CID 22950948

IUPAC4-butyl-2-tert-butyl-6-methylpyrimidine
SMILESCCCCc1cc(C)nc(C(C)(C)C)n1
InChIInChI=1S/C13H22N2/c1-6-7-8-11-9-10(2)14-12(15-11)13(3,4)5/h9H,6-8H2,1-5H3
InChIKeyBTYNSKMAONFBQB-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.43
Rot. Bonds3

About 4-butyl-2-tert-butyl-6-methylpyrimidine

4-butyl-2-tert-butyl-6-methylpyrimidine (PubChem CID 22950948) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-butyl-2-tert-butyl-6-methylpyrimidine.

Molecular Properties

Compound Name4-butyl-2-tert-butyl-6-methylpyrimidine
PubChem CID22950948
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name4-butyl-2-tert-butyl-6-methylpyrimidine
SMILESCCCCc1cc(C)nc(C(C)(C)C)n1
InChIInChI=1S/C13H22N2/c1-6-7-8-11-9-10(2)14-12(15-11)13(3,4)5/h9H,6-8H2,1-5H3
InChIKeyBTYNSKMAONFBQB-UHFFFAOYSA-N
XLogP3.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-butyl-2-tert-butyl-6-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 4-butyl-2-tert-butyl-6-methylpyrimidine?
The IUPAC name of 4-butyl-2-tert-butyl-6-methylpyrimidine (CID 22950948) is 4-butyl-2-tert-butyl-6-methylpyrimidine.
What is the SMILES notation for 4-butyl-2-tert-butyl-6-methylpyrimidine?
The canonical SMILES for 4-butyl-2-tert-butyl-6-methylpyrimidine is CCCCc1cc(C)nc(C(C)(C)C)n1.
What is the InChIKey of 4-butyl-2-tert-butyl-6-methylpyrimidine?
The InChIKey is BTYNSKMAONFBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-6-7-8-11-9-10(2)14-12(15-11)13(3,4)5/h9H,6-8H2,1-5H3.
What are the key properties of 4-butyl-2-tert-butyl-6-methylpyrimidine?
4-butyl-2-tert-butyl-6-methylpyrimidine has a molecular weight of 206.33 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-tert-butyl-6-methylpyrimidine is sourced from PubChem (CID 22950948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).