N-ethyl-4-(2-fluoro-3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine

C14H14FN5O — CID 82792824

IUPACN-ethyl-4-(2-fluoro-3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCCNc1nc(-c2cccc(OC)c2F)c2cn[nH]c2n1
InChIInChI=1S/C14H14FN5O/c1-3-16-14-18-12(9-7-17-20-13(9)19-14)8-5-4-6-10(21-2)11(8)15/h4-7H,3H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyLBZWVSXLEVZVCP-UHFFFAOYSA-N
MW287.30 g/mol
LogP2.60
Rot. Bonds4

About N-ethyl-4-(2-fluoro-3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine

N-ethyl-4-(2-fluoro-3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 82792824) has the molecular formula C14H14FN5O and a molecular weight of 287.30 g/mol. Its IUPAC name is N-ethyl-4-(2-fluoro-3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-fluoro-3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID82792824
Molecular FormulaC14H14FN5O
Molecular Weight287.30 g/mol
Exact Mass287.12
IUPAC NameN-ethyl-4-(2-fluoro-3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCCNc1nc(-c2cccc(OC)c2F)c2cn[nH]c2n1
InChIInChI=1S/C14H14FN5O/c1-3-16-14-18-12(9-7-17-20-13(9)19-14)8-5-4-6-10(21-2)11(8)15/h4-7H,3H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyLBZWVSXLEVZVCP-UHFFFAOYSA-N
XLogP2.60
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-fluoro-3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of N-ethyl-4-(2-fluoro-3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine (CID 82792824) is N-ethyl-4-(2-fluoro-3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for N-ethyl-4-(2-fluoro-3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for N-ethyl-4-(2-fluoro-3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine is CCNc1nc(-c2cccc(OC)c2F)c2cn[nH]c2n1.
What is the InChIKey of N-ethyl-4-(2-fluoro-3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is LBZWVSXLEVZVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O/c1-3-16-14-18-12(9-7-17-20-13(9)19-14)8-5-4-6-10(21-2)11(8)15/h4-7H,3H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of N-ethyl-4-(2-fluoro-3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
N-ethyl-4-(2-fluoro-3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 287.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-fluoro-3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 82792824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).