7-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine

C20H18N4O2 — CID 17036245

IUPAC7-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc3nc(C)nn23)cc1OC
InChIInChI=1S/C20H18N4O2/c1-13-21-20-22-16(14-7-5-4-6-8-14)12-17(24(20)23-13)15-9-10-18(25-2)19(11-15)26-3/h4-12H,1-3H3
InChIKeyVYYLWHNDCQNCMF-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.78
Rot. Bonds4

About 7-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 17036245) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID17036245
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name7-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc3nc(C)nn23)cc1OC
InChIInChI=1S/C20H18N4O2/c1-13-21-20-22-16(14-7-5-4-6-8-14)12-17(24(20)23-13)15-9-10-18(25-2)19(11-15)26-3/h4-12H,1-3H3
InChIKeyVYYLWHNDCQNCMF-UHFFFAOYSA-N
XLogP3.78
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 625431
2-[3,5-bis(3,4-dimethoxyphenyl)pyrazol-1-yl]-4-phenyl-6-(trifluoromethyl)pyrimidine
CID 17025286
2-tert-butyl-7-(3,4-dimethoxyphenyl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 44724256
4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidine
CID 630454
7-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1299515
6-(3,4-dimethoxyphenyl)-2-methyl-3-phenylimidazo[1,2-b]pyridazine
CID 141201904
2-butylsulfanyl-5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 135300341
2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
CID 1147052
2-(4-chlorophenoxy)-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine
CID 1350419
3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-4-phenylisoquinoline
CID 11418585
4-phenyl-6-(3,4,5-trimethoxyphenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
CID 134695234
4-(3,4-dimethoxyphenyl)-2-methoxy-6-(4-methylphenyl)pyrimidine
CID 2854304

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 17036245) is 7-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine is COc1ccc(-c2cc(-c3ccccc3)nc3nc(C)nn23)cc1OC.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is VYYLWHNDCQNCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13-21-20-22-16(14-7-5-4-6-8-14)12-17(24(20)23-13)15-9-10-18(25-2)19(11-15)26-3/h4-12H,1-3H3.
What are the key properties of 7-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 346.39 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 17036245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).