3-benzyl-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine

C14H15N5 — CID 159423289

IUPAC3-benzyl-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCn1nc(Cc2ccccc2)c2c(N)ncnc21
InChIInChI=1S/C14H15N5/c1-2-19-14-12(13(15)16-9-17-14)11(18-19)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H2,15,16,17)
InChIKeyLIXRXLHAGXXBJM-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.02
Rot. Bonds3

About 3-benzyl-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine

3-benzyl-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 159423289) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-benzyl-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-benzyl-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID159423289
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name3-benzyl-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCn1nc(Cc2ccccc2)c2c(N)ncnc21
InChIInChI=1S/C14H15N5/c1-2-19-14-12(13(15)16-9-17-14)11(18-19)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H2,15,16,17)
InChIKeyLIXRXLHAGXXBJM-UHFFFAOYSA-N
XLogP2.02
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-benzyl-7-ethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 161037296
3-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 57350625
1-tert-butyl-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 24865390
1-tert-butyl-3-[[3-(dimethylamino)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 24864850
5-benzyl-7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine;ethane
CID 158005663
4-benzyl-2-ethylphthalazin-1-one
CID 18336950
2,3-diethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 123578192
6-benzylpurin-9-amine;copper
CID 174669036
3-[(6-chloro-5-methylcyclohexa-1,3-dien-1-yl)methyl]-1-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 143251197
3-(4-benzylphenyl)-1-nonan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 155724782
3-(4-chlorophenyl)-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24866636
4-benzyl-5-(2-ethyl-1,2,4-triazol-3-yl)-1,3-oxazole
CID 163311032

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-benzyl-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine (CID 159423289) is 3-benzyl-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-benzyl-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-benzyl-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine is CCn1nc(Cc2ccccc2)c2c(N)ncnc21.
What is the InChIKey of 3-benzyl-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is LIXRXLHAGXXBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-2-19-14-12(13(15)16-9-17-14)11(18-19)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H2,15,16,17).
What are the key properties of 3-benzyl-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine?
3-benzyl-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 253.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 159423289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).