5-(methoxymethyl)-6-(4-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C20H19N5O2 — CID 17229460

IUPAC5-(methoxymethyl)-6-(4-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1nc2nc(-c3ccccc3)nn2c(N)c1-c1ccc(OC)cc1
InChIInChI=1S/C20H19N5O2/c1-26-12-16-17(13-8-10-15(27-2)11-9-13)18(21)25-20(22-16)23-19(24-25)14-6-4-3-5-7-14/h3-11H,12,21H2,1-2H3
InChIKeyNQBVTEGOLNVZLA-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.20
Rot. Bonds5

About 5-(methoxymethyl)-6-(4-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-(methoxymethyl)-6-(4-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 17229460) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 5-(methoxymethyl)-6-(4-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(methoxymethyl)-6-(4-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID17229460
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name5-(methoxymethyl)-6-(4-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1nc2nc(-c3ccccc3)nn2c(N)c1-c1ccc(OC)cc1
InChIInChI=1S/C20H19N5O2/c1-26-12-16-17(13-8-10-15(27-2)11-9-13)18(21)25-20(22-16)23-19(24-25)14-6-4-3-5-7-14/h3-11H,12,21H2,1-2H3
InChIKeyNQBVTEGOLNVZLA-UHFFFAOYSA-N
XLogP3.20
TPSA87.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-methoxyphenyl)-2-phenyl-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 17229462
5-(methoxymethyl)-2-methylsulfanyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 17198557
6-(4-chlorophenyl)-5-(methoxymethyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 17190673
2-benzylsulfanyl-6-(3,4-dimethoxyphenyl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 16653720
2-(4-methoxyphenyl)-7-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66498210
7-(methoxymethyl)-8-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 66502562
1-benzyl-4-(4-methoxyphenyl)-3-methylpyrazol-5-amine
CID 970025
1-(4-bromophenyl)-3-(methoxymethyl)-4-phenylpyrazol-5-amine
CID 17381507
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
2-phenyl-7-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66498307
5,6,7-trimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2337721
7-(methoxymethyl)-8-(4-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 66502561

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-6-(4-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(methoxymethyl)-6-(4-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 17229460) is 5-(methoxymethyl)-6-(4-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(methoxymethyl)-6-(4-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(methoxymethyl)-6-(4-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COCc1nc2nc(-c3ccccc3)nn2c(N)c1-c1ccc(OC)cc1.
What is the InChIKey of 5-(methoxymethyl)-6-(4-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NQBVTEGOLNVZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-26-12-16-17(13-8-10-15(27-2)11-9-13)18(21)25-20(22-16)23-19(24-25)14-6-4-3-5-7-14/h3-11H,12,21H2,1-2H3.
What are the key properties of 5-(methoxymethyl)-6-(4-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-(methoxymethyl)-6-(4-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 361.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-6-(4-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 17229460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).