N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C21H21N5O — CID 167821765

IUPACN-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(C)cc1CN(C)c1cc(-c2ccccc2)nc2ncnn12
InChIInChI=1S/C21H21N5O/c1-15-9-10-19(27-3)17(11-15)13-25(2)20-12-18(16-7-5-4-6-8-16)24-21-22-14-23-26(20)21/h4-12,14H,13H2,1-3H3
InChIKeyWPEQGGRMCUMQSS-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.74
Rot. Bonds5

About N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 167821765) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID167821765
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC NameN-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(C)cc1CN(C)c1cc(-c2ccccc2)nc2ncnn12
InChIInChI=1S/C21H21N5O/c1-15-9-10-19(27-3)17(11-15)13-25(2)20-12-18(16-7-5-4-6-8-16)24-21-22-14-23-26(20)21/h4-12,14H,13H2,1-3H3
InChIKeyWPEQGGRMCUMQSS-UHFFFAOYSA-N
XLogP3.74
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 167821765) is N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COc1ccc(C)cc1CN(C)c1cc(-c2ccccc2)nc2ncnn12.
What is the InChIKey of N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WPEQGGRMCUMQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-15-9-10-19(27-3)17(11-15)13-25(2)20-12-18(16-7-5-4-6-8-16)24-21-22-14-23-26(20)21/h4-12,14H,13H2,1-3H3.
What are the key properties of N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 359.43 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 167821765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).