5-(fluoromethyl)-N-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C19H22FN5O2 — CID 121320007

IUPAC5-(fluoromethyl)-N-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1ccc(CNc2nc3nc(CF)cc(C4CCOCC4)n3n2)cc1
InChIInChI=1S/C19H22FN5O2/c1-26-16-4-2-13(3-5-16)12-21-18-23-19-22-15(11-20)10-17(25(19)24-18)14-6-8-27-9-7-14/h2-5,10,14H,6-9,11-12H2,1H3,(H,21,24)
InChIKeyUYVKTQOYJDOINP-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.11
Rot. Bonds6

About 5-(fluoromethyl)-N-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

5-(fluoromethyl)-N-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 121320007) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is 5-(fluoromethyl)-N-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(fluoromethyl)-N-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID121320007
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC Name5-(fluoromethyl)-N-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1ccc(CNc2nc3nc(CF)cc(C4CCOCC4)n3n2)cc1
InChIInChI=1S/C19H22FN5O2/c1-26-16-4-2-13(3-5-16)12-21-18-23-19-22-15(11-20)10-17(25(19)24-18)14-6-8-27-9-7-14/h2-5,10,14H,6-9,11-12H2,1H3,(H,21,24)
InChIKeyUYVKTQOYJDOINP-UHFFFAOYSA-N
XLogP3.11
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-N-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 5-(fluoromethyl)-N-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 121320007) is 5-(fluoromethyl)-N-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 5-(fluoromethyl)-N-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 5-(fluoromethyl)-N-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is COc1ccc(CNc2nc3nc(CF)cc(C4CCOCC4)n3n2)cc1.
What is the InChIKey of 5-(fluoromethyl)-N-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is UYVKTQOYJDOINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-26-16-4-2-13(3-5-16)12-21-18-23-19-22-15(11-20)10-17(25(19)24-18)14-6-8-27-9-7-14/h2-5,10,14H,6-9,11-12H2,1H3,(H,21,24).
What are the key properties of 5-(fluoromethyl)-N-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
5-(fluoromethyl)-N-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 371.42 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-N-[(4-methoxyphenyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 121320007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).