8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C19H17FN6O — CID 146387154

IUPAC8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCOc1cc(F)ccc1-c1nc(N)n2ncnc2c1-c1cc(C)nc(C)c1
InChIInChI=1S/C19H17FN6O/c1-10-6-12(7-11(2)24-10)16-17(14-5-4-13(20)8-15(14)27-3)25-19(21)26-18(16)22-9-23-26/h4-9H,1-3H3,(H2,21,25)
InChIKeyJETNLOWNRPMUTI-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.20
Rot. Bonds3

About 8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 146387154) has the molecular formula C19H17FN6O and a molecular weight of 364.38 g/mol. Its IUPAC name is 8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID146387154
Molecular FormulaC19H17FN6O
Molecular Weight364.38 g/mol
Exact Mass364.14
IUPAC Name8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCOc1cc(F)ccc1-c1nc(N)n2ncnc2c1-c1cc(C)nc(C)c1
InChIInChI=1S/C19H17FN6O/c1-10-6-12(7-11(2)24-10)16-17(14-5-4-13(20)8-15(14)27-3)25-19(21)26-18(16)22-9-23-26/h4-9H,1-3H3,(H2,21,25)
InChIKeyJETNLOWNRPMUTI-UHFFFAOYSA-N
XLogP3.20
TPSA91.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine with MolForge

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Related Compounds

2-[3-[5-amino-8-(3-chloro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]-8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146387214
7-(2-methoxyphenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146387248
6-(4-fluoro-2-methoxyphenyl)-2-methyl-5-pyridin-2-ylpyrimidin-4-amine
CID 90159712
8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 142427007
5-(3-fluorophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 141062209
8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)tetrazolo[1,5-c]pyrimidin-5-amine
CID 168758989
2-[(2,6-difluorophenyl)methyl]-8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146490911
5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-2-[(5-methyl-1,3-oxazol-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 156863921
5-(4-fluoro-2-methylphenyl)-2-methoxyaniline
CID 54971518
4-(4-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine
CID 117295551
2-[5-amino-8-(2,6-dimethyl-4-pyridinyl)-2-[(3,6-dimethyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
CID 175743349
5-(4-fluorophenyl)-4-methoxypyridin-2-amine
CID 171390992

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 146387154) is 8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is COc1cc(F)ccc1-c1nc(N)n2ncnc2c1-c1cc(C)nc(C)c1.
What is the InChIKey of 8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is JETNLOWNRPMUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O/c1-10-6-12(7-11(2)24-10)16-17(14-5-4-13(20)8-15(14)27-3)25-19(21)26-18(16)22-9-23-26/h4-9H,1-3H3,(H2,21,25).
What are the key properties of 8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 364.38 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 146387154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).