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

C19H22FN5O2 — CID 121320170

IUPAC7-(4-fluorooxan-4-yl)-N-[(4-methoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1ccc(CNc2nc3nc(C)cc(C4(F)CCOCC4)n3n2)cc1
InChIInChI=1S/C19H22FN5O2/c1-13-11-16(19(20)7-9-27-10-8-19)25-18(22-13)23-17(24-25)21-12-14-3-5-15(26-2)6-4-14/h3-6,11H,7-10,12H2,1-2H3,(H,21,24)
InChIKeyBZVJZZJCAMXXHD-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.03
Rot. Bonds5

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

7-(4-fluorooxan-4-yl)-N-[(4-methoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 121320170) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is 7-(4-fluorooxan-4-yl)-N-[(4-methoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(4-fluorooxan-4-yl)-N-[(4-methoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID121320170
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC Name7-(4-fluorooxan-4-yl)-N-[(4-methoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1ccc(CNc2nc3nc(C)cc(C4(F)CCOCC4)n3n2)cc1
InChIInChI=1S/C19H22FN5O2/c1-13-11-16(19(20)7-9-27-10-8-19)25-18(22-13)23-17(24-25)21-12-14-3-5-15(26-2)6-4-14/h3-6,11H,7-10,12H2,1-2H3,(H,21,24)
InChIKeyBZVJZZJCAMXXHD-UHFFFAOYSA-N
XLogP3.03
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorooxan-4-yl)-N-[(4-methoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 7-(4-fluorooxan-4-yl)-N-[(4-methoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 121320170) is 7-(4-fluorooxan-4-yl)-N-[(4-methoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 7-(4-fluorooxan-4-yl)-N-[(4-methoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 7-(4-fluorooxan-4-yl)-N-[(4-methoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is COc1ccc(CNc2nc3nc(C)cc(C4(F)CCOCC4)n3n2)cc1.
What is the InChIKey of 7-(4-fluorooxan-4-yl)-N-[(4-methoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is BZVJZZJCAMXXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-13-11-16(19(20)7-9-27-10-8-19)25-18(22-13)23-17(24-25)21-12-14-3-5-15(26-2)6-4-14/h3-6,11H,7-10,12H2,1-2H3,(H,21,24).
What are the key properties of 7-(4-fluorooxan-4-yl)-N-[(4-methoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
7-(4-fluorooxan-4-yl)-N-[(4-methoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 371.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorooxan-4-yl)-N-[(4-methoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 121320170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).