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

C21H21N5O — CID 17229462

IUPAC6-(4-methoxyphenyl)-2-phenyl-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2c(C(C)C)nc3nc(-c4ccccc4)nn3c2N)cc1
InChIInChI=1S/C21H21N5O/c1-13(2)18-17(14-9-11-16(27-3)12-10-14)19(22)26-21(23-18)24-20(25-26)15-7-5-4-6-8-15/h4-13H,22H2,1-3H3
InChIKeyGWXFCUKJCQEKKN-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.17
Rot. Bonds4

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

6-(4-methoxyphenyl)-2-phenyl-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 17229462) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-phenyl-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-phenyl-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID17229462
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name6-(4-methoxyphenyl)-2-phenyl-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2c(C(C)C)nc3nc(-c4ccccc4)nn3c2N)cc1
InChIInChI=1S/C21H21N5O/c1-13(2)18-17(14-9-11-16(27-3)12-10-14)19(22)26-21(23-18)24-20(25-26)15-7-5-4-6-8-15/h4-13H,22H2,1-3H3
InChIKeyGWXFCUKJCQEKKN-UHFFFAOYSA-N
XLogP4.17
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(4-methoxyphenyl)-2-phenyl-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

5-(methoxymethyl)-6-(4-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 17229460
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
4-phenyl-1-(2-phenylpropan-2-yl)-3-propan-2-ylpyrazol-5-amine
CID 72944451
1-benzyl-4-(4-methoxyphenyl)-3-methylpyrazol-5-amine
CID 970025
4-(4-methoxyphenyl)-1-methyl-3-(1-methylsulfonylethyl)pyrazol-5-amine
CID 104519661
methyl 2-[[7-amino-6-(3,4-dimethoxyphenyl)-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]acetate
CID 16653746
2-(4-methoxyphenyl)-7-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66498210
7-(3-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 18681588
3,4-bis(4-methoxyphenyl)-6-phenylbenzene-1,2-diamine
CID 87111772
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
2-ethyl-4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazine
CID 171108749
5,6,7-trimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2337721

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-phenyl-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-(4-methoxyphenyl)-2-phenyl-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 17229462) is 6-(4-methoxyphenyl)-2-phenyl-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-phenyl-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-(4-methoxyphenyl)-2-phenyl-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COc1ccc(-c2c(C(C)C)nc3nc(-c4ccccc4)nn3c2N)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2-phenyl-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GWXFCUKJCQEKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-13(2)18-17(14-9-11-16(27-3)12-10-14)19(22)26-21(23-18)24-20(25-26)15-7-5-4-6-8-15/h4-13H,22H2,1-3H3.
What are the key properties of 6-(4-methoxyphenyl)-2-phenyl-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-(4-methoxyphenyl)-2-phenyl-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 359.43 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2-phenyl-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 17229462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).