4-imidazol-1-yl-6-(2-methylprop-2-enoxy)pyrimidine

C11H12N4O — CID 68718766

IUPAC4-imidazol-1-yl-6-(2-methylprop-2-enoxy)pyrimidine
SMILESC=C(C)COc1cc(-n2ccnc2)ncn1
InChIInChI=1S/C11H12N4O/c1-9(2)6-16-11-5-10(13-7-14-11)15-4-3-12-8-15/h3-5,7-8H,1,6H2,2H3
InChIKeyZCVSVMCSOSXOEC-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.62
Rot. Bonds4

About 4-imidazol-1-yl-6-(2-methylprop-2-enoxy)pyrimidine

4-imidazol-1-yl-6-(2-methylprop-2-enoxy)pyrimidine (PubChem CID 68718766) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-(2-methylprop-2-enoxy)pyrimidine.

Molecular Properties

Compound Name4-imidazol-1-yl-6-(2-methylprop-2-enoxy)pyrimidine
PubChem CID68718766
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name4-imidazol-1-yl-6-(2-methylprop-2-enoxy)pyrimidine
SMILESC=C(C)COc1cc(-n2ccnc2)ncn1
InChIInChI=1S/C11H12N4O/c1-9(2)6-16-11-5-10(13-7-14-11)15-4-3-12-8-15/h3-5,7-8H,1,6H2,2H3
InChIKeyZCVSVMCSOSXOEC-UHFFFAOYSA-N
XLogP1.62
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-6-(2-methylprop-2-enoxy)pyrimidine?
The IUPAC name of 4-imidazol-1-yl-6-(2-methylprop-2-enoxy)pyrimidine (CID 68718766) is 4-imidazol-1-yl-6-(2-methylprop-2-enoxy)pyrimidine.
What is the SMILES notation for 4-imidazol-1-yl-6-(2-methylprop-2-enoxy)pyrimidine?
The canonical SMILES for 4-imidazol-1-yl-6-(2-methylprop-2-enoxy)pyrimidine is C=C(C)COc1cc(-n2ccnc2)ncn1.
What is the InChIKey of 4-imidazol-1-yl-6-(2-methylprop-2-enoxy)pyrimidine?
The InChIKey is ZCVSVMCSOSXOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-9(2)6-16-11-5-10(13-7-14-11)15-4-3-12-8-15/h3-5,7-8H,1,6H2,2H3.
What are the key properties of 4-imidazol-1-yl-6-(2-methylprop-2-enoxy)pyrimidine?
4-imidazol-1-yl-6-(2-methylprop-2-enoxy)pyrimidine has a molecular weight of 216.24 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-6-(2-methylprop-2-enoxy)pyrimidine is sourced from PubChem (CID 68718766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).