(2-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine

C13H11FN4O — CID 115372967

IUPAC(2-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine
SMILESNCc1ccc(Oc2ccn3nccc3n2)cc1F
InChIInChI=1S/C13H11FN4O/c14-11-7-10(2-1-9(11)8-15)19-13-4-6-18-12(17-13)3-5-16-18/h1-7H,8,15H2
InChIKeyBESFNTMRNYHDED-UHFFFAOYSA-N
MW258.26 g/mol
LogP2.12
Rot. Bonds3

About (2-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine

(2-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine (PubChem CID 115372967) has the molecular formula C13H11FN4O and a molecular weight of 258.26 g/mol. Its IUPAC name is (2-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(2-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine
PubChem CID115372967
Molecular FormulaC13H11FN4O
Molecular Weight258.26 g/mol
Exact Mass258.09
IUPAC Name(2-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine
SMILESNCc1ccc(Oc2ccn3nccc3n2)cc1F
InChIInChI=1S/C13H11FN4O/c14-11-7-10(2-1-9(11)8-15)19-13-4-6-18-12(17-13)3-5-16-18/h1-7H,8,15H2
InChIKeyBESFNTMRNYHDED-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

5-(4-bromo-3-fluorophenoxy)pyrazolo[1,5-a]pyrimidine
CID 115372265
(2-fluoro-6-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine
CID 115372963
3-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline
CID 113296761
5-(4-bromo-3-methylphenoxy)pyrazolo[1,5-a]pyrimidine
CID 83132957
3-fluoro-2-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline
CID 104832144
5-methoxy-2-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline
CID 115372664
4-pyrazolo[1,5-a]pyrimidin-5-yloxythiophene-2-carboxylic acid
CID 113296835
4-[4-(aminomethyl)-3-fluorophenoxy]-1H-pyrimidin-6-one
CID 114585970
5-(4-bromo-2-methylphenoxy)pyrazolo[1,5-a]pyrimidine
CID 115372263
[2-(3-fluoro-4-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 107169942
5-[3-(3-fluorophenyl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine
CID 68606763
[6-(3,4-difluorophenoxy)-2-pyridinyl]methanol
CID 55053415

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine?
The IUPAC name of (2-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine (CID 115372967) is (2-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine.
What is the SMILES notation for (2-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine?
The canonical SMILES for (2-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine is NCc1ccc(Oc2ccn3nccc3n2)cc1F.
What is the InChIKey of (2-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine?
The InChIKey is BESFNTMRNYHDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O/c14-11-7-10(2-1-9(11)8-15)19-13-4-6-18-12(17-13)3-5-16-18/h1-7H,8,15H2.
What are the key properties of (2-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine?
(2-fluoro-4-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-4-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine is sourced from PubChem (CID 115372967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).