4-(3-fluoro-4-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-amine

C12H10FN5O — CID 107171739

IUPAC4-(3-fluoro-4-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCc1ccc(Oc2nc(N)nc3[nH]ncc23)cc1F
InChIInChI=1S/C12H10FN5O/c1-6-2-3-7(4-9(6)13)19-11-8-5-15-18-10(8)16-12(14)17-11/h2-5H,1H3,(H3,14,15,16,17,18)
InChIKeyIHNNLCIJLWBROY-UHFFFAOYSA-N
MW259.24 g/mol
LogP2.17
Rot. Bonds2

About 4-(3-fluoro-4-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-amine

4-(3-fluoro-4-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 107171739) has the molecular formula C12H10FN5O and a molecular weight of 259.24 g/mol. Its IUPAC name is 4-(3-fluoro-4-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-(3-fluoro-4-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID107171739
Molecular FormulaC12H10FN5O
Molecular Weight259.24 g/mol
Exact Mass259.09
IUPAC Name4-(3-fluoro-4-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCc1ccc(Oc2nc(N)nc3[nH]ncc23)cc1F
InChIInChI=1S/C12H10FN5O/c1-6-2-3-7(4-9(6)13)19-11-8-5-15-18-10(8)16-12(14)17-11/h2-5H,1H3,(H3,14,15,16,17,18)
InChIKeyIHNNLCIJLWBROY-UHFFFAOYSA-N
XLogP2.17
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-4-(3-fluoro-4-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 107171824
4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidin-2-amine
CID 107169142
4-(4-fluoro-3-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103333166
4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 106598643
2-(3-fluoro-4-methylphenoxy)pyrimidin-5-amine
CID 107168482
4-chloro-1H-pyrazolo[5,4-d]pyrimidin-6-amine;4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 157231027
2-(3-fluoro-4-methylphenoxy)pyridin-3-amine
CID 107168496
2-chloro-4-(3-fluoro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 107169181
4-(3-fluoro-4-methylphenoxy)-N-methylquinazolin-2-amine
CID 107171754
5-amino-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one
CID 107171900
5-(3-fluoro-4-methylphenoxy)pyridin-3-amine
CID 107171750
4-N-[(2,5-dimethylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 39830512

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 4-(3-fluoro-4-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-amine (CID 107171739) is 4-(3-fluoro-4-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-(3-fluoro-4-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-(3-fluoro-4-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-amine is Cc1ccc(Oc2nc(N)nc3[nH]ncc23)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is IHNNLCIJLWBROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O/c1-6-2-3-7(4-9(6)13)19-11-8-5-15-18-10(8)16-12(14)17-11/h2-5H,1H3,(H3,14,15,16,17,18).
What are the key properties of 4-(3-fluoro-4-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
4-(3-fluoro-4-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 259.24 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 107171739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).