(2-fluoro-6-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine

C13H11FN4O — CID 115372963

IUPAC(2-fluoro-6-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine
SMILESNCc1c(F)cccc1Oc1ccn2nccc2n1
InChIInChI=1S/C13H11FN4O/c14-10-2-1-3-11(9(10)8-15)19-13-5-7-18-12(17-13)4-6-16-18/h1-7H,8,15H2
InChIKeyLYBBZZDKSCGRTJ-UHFFFAOYSA-N
MW258.26 g/mol
LogP2.12
Rot. Bonds3

About (2-fluoro-6-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine

(2-fluoro-6-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine (PubChem CID 115372963) has the molecular formula C13H11FN4O and a molecular weight of 258.26 g/mol. Its IUPAC name is (2-fluoro-6-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(2-fluoro-6-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine
PubChem CID115372963
Molecular FormulaC13H11FN4O
Molecular Weight258.26 g/mol
Exact Mass258.09
IUPAC Name(2-fluoro-6-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine
SMILESNCc1c(F)cccc1Oc1ccn2nccc2n1
InChIInChI=1S/C13H11FN4O/c14-10-2-1-3-11(9(10)8-15)19-13-5-7-18-12(17-13)4-6-16-18/h1-7H,8,15H2
InChIKeyLYBBZZDKSCGRTJ-UHFFFAOYSA-N
XLogP2.12
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-2-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline
CID 104832144
(2-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine
CID 115372967
(2-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanol
CID 107713486
5-(4-bromo-3-fluorophenoxy)pyrazolo[1,5-a]pyrimidine
CID 115372265
[2-fluoro-6-(2-fluorophenoxy)phenyl]methanamine
CID 79516548
5-methoxy-2-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline
CID 115372664
5-(4-bromo-2-methylphenoxy)pyrazolo[1,5-a]pyrimidine
CID 115372263
[6-(2,3-difluorophenoxy)-2-pyridinyl]methanamine
CID 63035930
(2-fluoro-6-methoxyphenyl)methanamine
CID 40786958
4-[2-(aminomethyl)-3-fluorophenoxy]-2-methyl-1H-pyrimidin-6-one
CID 114585940
[2-(2-bromophenoxy)-6-fluorophenyl]methanamine
CID 79517645
[2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]-6-fluorophenyl]methanamine
CID 114787502

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-6-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine?
The IUPAC name of (2-fluoro-6-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine (CID 115372963) is (2-fluoro-6-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine.
What is the SMILES notation for (2-fluoro-6-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine?
The canonical SMILES for (2-fluoro-6-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine is NCc1c(F)cccc1Oc1ccn2nccc2n1.
What is the InChIKey of (2-fluoro-6-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine?
The InChIKey is LYBBZZDKSCGRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O/c14-10-2-1-3-11(9(10)8-15)19-13-5-7-18-12(17-13)4-6-16-18/h1-7H,8,15H2.
What are the key properties of (2-fluoro-6-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine?
(2-fluoro-6-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine has a molecular weight of 258.26 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-6-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine is sourced from PubChem (CID 115372963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).