5,6-ditert-butyl-3-methyl-4H-pyrimidine

C13H24N2 — CID 23402548

IUPAC5,6-ditert-butyl-3-methyl-4H-pyrimidine
SMILESCN1C=NC(C(C)(C)C)=C(C(C)(C)C)C1
InChIInChI=1S/C13H24N2/c1-12(2,3)10-8-15(7)9-14-11(10)13(4,5)6/h9H,8H2,1-7H3
InChIKeyUVTDLDOMQRIMTQ-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.31
Rot. Bonds

About 5,6-ditert-butyl-3-methyl-4H-pyrimidine

5,6-ditert-butyl-3-methyl-4H-pyrimidine (PubChem CID 23402548) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 5,6-ditert-butyl-3-methyl-4H-pyrimidine.

Molecular Properties

Compound Name5,6-ditert-butyl-3-methyl-4H-pyrimidine
PubChem CID23402548
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name5,6-ditert-butyl-3-methyl-4H-pyrimidine
SMILESCN1C=NC(C(C)(C)C)=C(C(C)(C)C)C1
InChIInChI=1S/C13H24N2/c1-12(2,3)10-8-15(7)9-14-11(10)13(4,5)6/h9H,8H2,1-7H3
InChIKeyUVTDLDOMQRIMTQ-UHFFFAOYSA-N
XLogP3.31
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,6-ditert-butyl-3-methyl-4H-pyrimidine 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 5,6-ditert-butyl-3-methyl-4H-pyrimidine?
The IUPAC name of 5,6-ditert-butyl-3-methyl-4H-pyrimidine (CID 23402548) is 5,6-ditert-butyl-3-methyl-4H-pyrimidine.
What is the SMILES notation for 5,6-ditert-butyl-3-methyl-4H-pyrimidine?
The canonical SMILES for 5,6-ditert-butyl-3-methyl-4H-pyrimidine is CN1C=NC(C(C)(C)C)=C(C(C)(C)C)C1.
What is the InChIKey of 5,6-ditert-butyl-3-methyl-4H-pyrimidine?
The InChIKey is UVTDLDOMQRIMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-12(2,3)10-8-15(7)9-14-11(10)13(4,5)6/h9H,8H2,1-7H3.
What are the key properties of 5,6-ditert-butyl-3-methyl-4H-pyrimidine?
5,6-ditert-butyl-3-methyl-4H-pyrimidine has a molecular weight of 208.35 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butyl-3-methyl-4H-pyrimidine is sourced from PubChem (CID 23402548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).