2,4-dimethoxy-5-(3-methylbut-2-enyl)pyrimidine

C11H16N2O2 — CID 121222316

IUPAC2,4-dimethoxy-5-(3-methylbut-2-enyl)pyrimidine
SMILESCOc1ncc(CC=C(C)C)c(OC)n1
InChIInChI=1S/C11H16N2O2/c1-8(2)5-6-9-7-12-11(15-4)13-10(9)14-3/h5,7H,6H2,1-4H3
InChIKeyGFIUNGRLVQZQLP-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.00
Rot. Bonds4

About 2,4-dimethoxy-5-(3-methylbut-2-enyl)pyrimidine

2,4-dimethoxy-5-(3-methylbut-2-enyl)pyrimidine (PubChem CID 121222316) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2,4-dimethoxy-5-(3-methylbut-2-enyl)pyrimidine.

Molecular Properties

Compound Name2,4-dimethoxy-5-(3-methylbut-2-enyl)pyrimidine
PubChem CID121222316
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2,4-dimethoxy-5-(3-methylbut-2-enyl)pyrimidine
SMILESCOc1ncc(CC=C(C)C)c(OC)n1
InChIInChI=1S/C11H16N2O2/c1-8(2)5-6-9-7-12-11(15-4)13-10(9)14-3/h5,7H,6H2,1-4H3
InChIKeyGFIUNGRLVQZQLP-UHFFFAOYSA-N
XLogP2.00
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,4-dimethoxy-5-(3-methylbut-2-enyl)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 2,4-dimethoxy-5-(3-methylbut-2-enyl)pyrimidine?
The IUPAC name of 2,4-dimethoxy-5-(3-methylbut-2-enyl)pyrimidine (CID 121222316) is 2,4-dimethoxy-5-(3-methylbut-2-enyl)pyrimidine.
What is the SMILES notation for 2,4-dimethoxy-5-(3-methylbut-2-enyl)pyrimidine?
The canonical SMILES for 2,4-dimethoxy-5-(3-methylbut-2-enyl)pyrimidine is COc1ncc(CC=C(C)C)c(OC)n1.
What is the InChIKey of 2,4-dimethoxy-5-(3-methylbut-2-enyl)pyrimidine?
The InChIKey is GFIUNGRLVQZQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(2)5-6-9-7-12-11(15-4)13-10(9)14-3/h5,7H,6H2,1-4H3.
What are the key properties of 2,4-dimethoxy-5-(3-methylbut-2-enyl)pyrimidine?
2,4-dimethoxy-5-(3-methylbut-2-enyl)pyrimidine has a molecular weight of 208.26 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-5-(3-methylbut-2-enyl)pyrimidine is sourced from PubChem (CID 121222316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).