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

C13H13N5O — CID 82192766

IUPAC1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOc1ccc(-n2ncc3c(N)ncnc32)cc1
InChIInChI=1S/C13H13N5O/c1-2-19-10-5-3-9(4-6-10)18-13-11(7-17-18)12(14)15-8-16-13/h3-8H,2H2,1H3,(H2,14,15,16)
InChIKeyCPLLXOIOTBJKKY-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.80
Rot. Bonds3

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

1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 82192766) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID82192766
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOc1ccc(-n2ncc3c(N)ncnc32)cc1
InChIInChI=1S/C13H13N5O/c1-2-19-10-5-3-9(4-6-10)18-13-11(7-17-18)12(14)15-8-16-13/h3-8H,2H2,1H3,(H2,14,15,16)
InChIKeyCPLLXOIOTBJKKY-UHFFFAOYSA-N
XLogP1.80
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N'-[1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]ethane-1,2-diamine
CID 82191539
N-(4-ethoxyphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 875439
1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 82192765
1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 157410004
1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63022431
N-(4-ethoxyphenyl)-2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
CID 1445511
4-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 6966719
1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 134608188
1-(3-chlorophenyl)-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017293
4-(4-methylphenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 8539532
2-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]ethanamine
CID 95457156
1-(2,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 55142743

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 82192766) is 1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is CCOc1ccc(-n2ncc3c(N)ncnc32)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is CPLLXOIOTBJKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-2-19-10-5-3-9(4-6-10)18-13-11(7-17-18)12(14)15-8-16-13/h3-8H,2H2,1H3,(H2,14,15,16).
What are the key properties of 1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 255.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 82192766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).