N-(4-ethoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C13H13N5O — CID 711550

IUPACN-(4-ethoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCOc1ccc(Nc2ncnc3[nH]ncc23)cc1
InChIInChI=1S/C13H13N5O/c1-2-19-10-5-3-9(4-6-10)17-12-11-7-16-18-13(11)15-8-14-12/h3-8H,2H2,1H3,(H2,14,15,16,17,18)
InChIKeyPNIJSWVVTOOOHN-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.50
Rot. Bonds4

About N-(4-ethoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-(4-ethoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 711550) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID711550
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC NameN-(4-ethoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCOc1ccc(Nc2ncnc3[nH]ncc23)cc1
InChIInChI=1S/C13H13N5O/c1-2-19-10-5-3-9(4-6-10)17-12-11-7-16-18-13(11)15-8-14-12/h3-8H,2H2,1H3,(H2,14,15,16,17,18)
InChIKeyPNIJSWVVTOOOHN-UHFFFAOYSA-N
XLogP2.50
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(4-ethoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 711550) is N-(4-ethoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is CCOc1ccc(Nc2ncnc3[nH]ncc23)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is PNIJSWVVTOOOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-2-19-10-5-3-9(4-6-10)17-12-11-7-16-18-13(11)15-8-14-12/h3-8H,2H2,1H3,(H2,14,15,16,17,18).
What are the key properties of N-(4-ethoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-(4-ethoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 255.28 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 711550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).