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

C20H19N5O — CID 711559

IUPAC1-benzyl-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOc1ccc(Nc2ncnc3c2cnn3Cc2ccccc2)cc1
InChIInChI=1S/C20H19N5O/c1-2-26-17-10-8-16(9-11-17)24-19-18-12-23-25(20(18)22-14-21-19)13-15-6-4-3-5-7-15/h3-12,14H,2,13H2,1H3,(H,21,22,24)
InChIKeyUGBBSFFHIRXSLS-UHFFFAOYSA-N
MW345.41 g/mol
LogP4.02
Rot. Bonds6

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

1-benzyl-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 711559) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 1-benzyl-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID711559
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name1-benzyl-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOc1ccc(Nc2ncnc3c2cnn3Cc2ccccc2)cc1
InChIInChI=1S/C20H19N5O/c1-2-26-17-10-8-16(9-11-17)24-19-18-12-23-25(20(18)22-14-21-19)13-15-6-4-3-5-7-15/h3-12,14H,2,13H2,1H3,(H,21,22,24)
InChIKeyUGBBSFFHIRXSLS-UHFFFAOYSA-N
XLogP4.02
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxyphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 875439
N-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 930210
1-benzyl-N-(2,4-dimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 4897823
1-ethyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 1107332
1-benzyl-N-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 1069524
1-(3-chlorophenyl)-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017293
3-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid
CID 905007
4-N-(4-ethoxyphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
CID 19147676
N-(4-ethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 16875676
methyl 2-[4-[[(4-ethoxyphenyl)-phenylmethyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate
CID 86964224
6-(4-benzylpiperazin-1-yl)-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19139295
1-benzyl-N,N-dibutylpyrazolo[5,4-d]pyrimidin-4-amine
CID 2270504

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-benzyl-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 711559) is 1-benzyl-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-benzyl-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-benzyl-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is CCOc1ccc(Nc2ncnc3c2cnn3Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is UGBBSFFHIRXSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-2-26-17-10-8-16(9-11-17)24-19-18-12-23-25(20(18)22-14-21-19)13-15-6-4-3-5-7-15/h3-12,14H,2,13H2,1H3,(H,21,22,24).
What are the key properties of 1-benzyl-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-benzyl-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 345.41 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 711559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).