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

C20H19N5O2 — CID 46097578

IUPAC6-(4-methoxyphenyl)-N-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2cnc3ncnn3c2NCCOc2ccccc2)cc1
InChIInChI=1S/C20H19N5O2/c1-26-16-9-7-15(8-10-16)18-13-22-20-23-14-24-25(20)19(18)21-11-12-27-17-5-3-2-4-6-17/h2-10,13-14,21H,11-12H2,1H3
InChIKeyPDQFKHMSZRYHDC-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.29
Rot. Bonds7

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

6-(4-methoxyphenyl)-N-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 46097578) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-N-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-N-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID46097578
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name6-(4-methoxyphenyl)-N-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2cnc3ncnn3c2NCCOc2ccccc2)cc1
InChIInChI=1S/C20H19N5O2/c1-26-16-9-7-15(8-10-16)18-13-22-20-23-14-24-25(20)19(18)21-11-12-27-17-5-3-2-4-6-17/h2-10,13-14,21H,11-12H2,1H3
InChIKeyPDQFKHMSZRYHDC-UHFFFAOYSA-N
XLogP3.29
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-(4-methoxyphenyl)-7-[4-(1-phenylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 46097569
4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663
5,6-dimethyl-N-(2-naphthalen-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 70199948
6-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 24720169
5-chloro-N-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918665
N-[[4-(difluoromethoxy)phenyl]methyl]-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 46098546
7-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 46097588
7-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 58662406
5-methoxy-N-(3-phenoxypropyl)pyridin-2-amine
CID 106504081
2-[4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]sulfonylbenzonitrile
CID 24720159
5-chloro-N-(3-phenoxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918753
N-(1,3-benzodioxol-5-ylmethyl)-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 46097535

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-N-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-(4-methoxyphenyl)-N-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 46097578) is 6-(4-methoxyphenyl)-N-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-(4-methoxyphenyl)-N-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-(4-methoxyphenyl)-N-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COc1ccc(-c2cnc3ncnn3c2NCCOc2ccccc2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-N-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is PDQFKHMSZRYHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-26-16-9-7-15(8-10-16)18-13-22-20-23-14-24-25(20)19(18)21-11-12-27-17-5-3-2-4-6-17/h2-10,13-14,21H,11-12H2,1H3.
What are the key properties of 6-(4-methoxyphenyl)-N-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-(4-methoxyphenyl)-N-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 361.41 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-N-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 46097578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).