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

C16H19N5O — CID 650985

IUPACN-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(CCNc2c(C)c(C)nc3ncnn23)cc1
InChIInChI=1S/C16H19N5O/c1-11-12(2)20-16-18-10-19-21(16)15(11)17-9-8-13-4-6-14(22-3)7-5-13/h4-7,10,17H,8-9H2,1-3H3
InChIKeyUTLSVICKBWQXGU-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.40
Rot. Bonds5

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

N-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 650985) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID650985
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(CCNc2c(C)c(C)nc3ncnn23)cc1
InChIInChI=1S/C16H19N5O/c1-11-12(2)20-16-18-10-19-21(16)15(11)17-9-8-13-4-6-14(22-3)7-5-13/h4-7,10,17H,8-9H2,1-3H3
InChIKeyUTLSVICKBWQXGU-UHFFFAOYSA-N
XLogP2.40
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pexacerfont
CID 9884366
Cevipabulin
CID 11488110
5H-Cyclopenta(d)pyrazolo(1,5-a)pyrimidin-8-amine, 3-(2-chloro-4-methoxyphenyl)-N-(1-ethylpropyl)-6,7-dihydro-2-methyl-
CID 9801039
Bms-561388
CID 9908904
Ibrutinib N-desacryloyl impurity
CID 58223272
3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 9884878
3-(6-Ethoxynaphthalen-2-Yl)-1-(Piperidin-4-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 53346432
3-(4-Methoxy-3-Methylphenyl)-1-(Piperidin-4-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 56835771
1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905153
Pci 29732
CID 22347110
Pyrazolo[1,5-a]-1,3,5-triazine, 12-35
CID 42618197
6-(4-Methoxy-phenyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine
CID 5329337

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 650985) is N-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COc1ccc(CCNc2c(C)c(C)nc3ncnn23)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UTLSVICKBWQXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-11-12(2)20-16-18-10-19-21(16)15(11)17-9-8-13-4-6-14(22-3)7-5-13/h4-7,10,17H,8-9H2,1-3H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 297.36 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 650985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).