4-[5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methyl-6-[(E)-2-pyridin-2-ylethenyl]pyrimidine

C24H24N6O2 — CID 71548522

IUPAC4-[5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methyl-6-[(E)-2-pyridin-2-ylethenyl]pyrimidine
SMILESCOc1ccc(Cc2nc(C)nn2-c2cc(/C=C/c3ccccn3)nc(C)n2)cc1OC
InChIInChI=1S/C24H24N6O2/c1-16-26-20(10-9-19-7-5-6-12-25-19)15-24(27-16)30-23(28-17(2)29-30)14-18-8-11-21(31-3)22(13-18)32-4/h5-13,15H,14H2,1-4H3/b10-9+
InChIKeyYDWGPLSEMBXKEC-MDZDMXLPSA-N
MW428.50 g/mol
LogP3.85
Rot. Bonds7

About 4-[5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methyl-6-[(E)-2-pyridin-2-ylethenyl]pyrimidine

4-[5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methyl-6-[(E)-2-pyridin-2-ylethenyl]pyrimidine (PubChem CID 71548522) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 4-[5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methyl-6-[(E)-2-pyridin-2-ylethenyl]pyrimidine.

Molecular Properties

Compound Name4-[5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methyl-6-[(E)-2-pyridin-2-ylethenyl]pyrimidine
PubChem CID71548522
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name4-[5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methyl-6-[(E)-2-pyridin-2-ylethenyl]pyrimidine
SMILESCOc1ccc(Cc2nc(C)nn2-c2cc(/C=C/c3ccccn3)nc(C)n2)cc1OC
InChIInChI=1S/C24H24N6O2/c1-16-26-20(10-9-19-7-5-6-12-25-19)15-24(27-16)30-23(28-17(2)29-30)14-18-8-11-21(31-3)22(13-18)32-4/h5-13,15H,14H2,1-4H3/b10-9+
InChIKeyYDWGPLSEMBXKEC-MDZDMXLPSA-N
XLogP3.85
TPSA87.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methyl-6-[(E)-2-pyridin-2-ylethenyl]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 4-[5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methyl-6-[(E)-2-pyridin-2-ylethenyl]pyrimidine?
The IUPAC name of 4-[5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methyl-6-[(E)-2-pyridin-2-ylethenyl]pyrimidine (CID 71548522) is 4-[5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methyl-6-[(E)-2-pyridin-2-ylethenyl]pyrimidine.
What is the SMILES notation for 4-[5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methyl-6-[(E)-2-pyridin-2-ylethenyl]pyrimidine?
The canonical SMILES for 4-[5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methyl-6-[(E)-2-pyridin-2-ylethenyl]pyrimidine is COc1ccc(Cc2nc(C)nn2-c2cc(/C=C/c3ccccn3)nc(C)n2)cc1OC.
What is the InChIKey of 4-[5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methyl-6-[(E)-2-pyridin-2-ylethenyl]pyrimidine?
The InChIKey is YDWGPLSEMBXKEC-MDZDMXLPSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-16-26-20(10-9-19-7-5-6-12-25-19)15-24(27-16)30-23(28-17(2)29-30)14-18-8-11-21(31-3)22(13-18)32-4/h5-13,15H,14H2,1-4H3/b10-9+.
What are the key properties of 4-[5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methyl-6-[(E)-2-pyridin-2-ylethenyl]pyrimidine?
4-[5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methyl-6-[(E)-2-pyridin-2-ylethenyl]pyrimidine has a molecular weight of 428.50 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methyl-6-[(E)-2-pyridin-2-ylethenyl]pyrimidine is sourced from PubChem (CID 71548522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).