1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine

C13H12FN5O — CID 157410004

IUPAC1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(F)Oc1cccc(-n2ncc3c(N)ncnc32)c1
InChIInChI=1S/C13H12FN5O/c1-8(14)20-10-4-2-3-9(5-10)19-13-11(6-18-19)12(15)16-7-17-13/h2-8H,1H3,(H2,15,16,17)
InChIKeyHUSWIZGDNSXNEK-UHFFFAOYSA-N
MW273.27 g/mol
LogP2.09
Rot. Bonds3

About 1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine

1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 157410004) has the molecular formula C13H12FN5O and a molecular weight of 273.27 g/mol. Its IUPAC name is 1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID157410004
Molecular FormulaC13H12FN5O
Molecular Weight273.27 g/mol
Exact Mass273.10
IUPAC Name1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(F)Oc1cccc(-n2ncc3c(N)ncnc32)c1
InChIInChI=1S/C13H12FN5O/c1-8(14)20-10-4-2-3-9(5-10)19-13-11(6-18-19)12(15)16-7-17-13/h2-8H,1H3,(H2,15,16,17)
InChIKeyHUSWIZGDNSXNEK-UHFFFAOYSA-N
XLogP2.09
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea
CID 11996253
1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 82192765
1-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 11995962
1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 82192766
4-chloro-1-[3-(trifluoromethoxy)phenyl]pyrazolo[5,4-d]pyrimidine
CID 71377348
1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 134608188
1-(2,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 55142743
1-(difluoromethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 154123352
3-[[[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazenyl]methyl]aniline
CID 91412413
1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]pentan-2-one;1-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 158710437
1-[2-[3-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethanol
CID 154406883
1-(3-fluorophenyl)-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110434963

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 157410004) is 1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine is CC(F)Oc1cccc(-n2ncc3c(N)ncnc32)c1.
What is the InChIKey of 1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is HUSWIZGDNSXNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5O/c1-8(14)20-10-4-2-3-9(5-10)19-13-11(6-18-19)12(15)16-7-17-13/h2-8H,1H3,(H2,15,16,17).
What are the key properties of 1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 273.27 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 157410004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).