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

C19H22FN5O2 — CID 121320279

IUPACN-[(2-fluoro-4-methoxyphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1ccc(CNc2nc3nc(C)cc(C4CCOCC4)n3n2)c(F)c1
InChIInChI=1S/C19H22FN5O2/c1-12-9-17(13-5-7-27-8-6-13)25-19(22-12)23-18(24-25)21-11-14-3-4-15(26-2)10-16(14)20/h3-4,9-10,13H,5-8,11H2,1-2H3,(H,21,24)
InChIKeyRNQGSXWXXVPJFX-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.09
Rot. Bonds5

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

N-[(2-fluoro-4-methoxyphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 121320279) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is N-[(2-fluoro-4-methoxyphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-fluoro-4-methoxyphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID121320279
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC NameN-[(2-fluoro-4-methoxyphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1ccc(CNc2nc3nc(C)cc(C4CCOCC4)n3n2)c(F)c1
InChIInChI=1S/C19H22FN5O2/c1-12-9-17(13-5-7-27-8-6-13)25-19(22-12)23-18(24-25)21-11-14-3-4-15(26-2)10-16(14)20/h3-4,9-10,13H,5-8,11H2,1-2H3,(H,21,24)
InChIKeyRNQGSXWXXVPJFX-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Pexacerfont
CID 9884366
7-(4,6-Di-tert-butylpyrimidin-2-yl)-3-(4-trifluoromethoxyphenyl)-5,6,7,8-tetrahydro(1,2,4)triazolo(4,3-a)pyrazine
CID 91884614
3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 9884878
Pyrazolo[1,5-b]pyridazine deriv. 70
CID 6539412
Pyrazolo[1,5-a]-1,3,5-triazin-4-amine,8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-[(1S)-1-methylpropyl]-
CID 42618221
7-(4-Methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 4773323
Pyrazolo[1,5-a]-1,3,5-triazine, 12-1
CID 42618165
Pyrazolo[1,5-a]-1,3,5-triazine, 12-2
CID 42618166
Pyrazolo[1,5-a]-1,3,5-triazine, 12-11
CID 42618174
Pyrazolo[1,5-a]-1,3,5-triazine, 12-12
CID 42618175
Pyrazolo[1,5-a]-1,3,5-triazine, 12-34
CID 42618196
Pyrazolo[1,5-a]-1,3,5-triazine, 13-14
CID 42618220

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-methoxyphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of N-[(2-fluoro-4-methoxyphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 121320279) is N-[(2-fluoro-4-methoxyphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for N-[(2-fluoro-4-methoxyphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for N-[(2-fluoro-4-methoxyphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is COc1ccc(CNc2nc3nc(C)cc(C4CCOCC4)n3n2)c(F)c1.
What is the InChIKey of N-[(2-fluoro-4-methoxyphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is RNQGSXWXXVPJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-12-9-17(13-5-7-27-8-6-13)25-19(22-12)23-18(24-25)21-11-14-3-4-15(26-2)10-16(14)20/h3-4,9-10,13H,5-8,11H2,1-2H3,(H,21,24).
What are the key properties of N-[(2-fluoro-4-methoxyphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
N-[(2-fluoro-4-methoxyphenyl)methyl]-5-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 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-methoxyphenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 121320279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).