3-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

C13H13N5 — CID 57350625

IUPAC3-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1nn(-c2ccccc2)c2ncnc(N)c12
InChIInChI=1S/C13H13N5/c1-2-10-11-12(14)15-8-16-13(11)18(17-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,14,15,16)
InChIKeyDRXGQDZALOKTRW-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.96
Rot. Bonds2

About 3-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

3-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 57350625) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID57350625
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name3-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1nn(-c2ccccc2)c2ncnc(N)c12
InChIInChI=1S/C13H13N5/c1-2-10-11-12(14)15-8-16-13(11)18(17-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,14,15,16)
InChIKeyDRXGQDZALOKTRW-UHFFFAOYSA-N
XLogP1.96
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzyl-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 159423289
N-[4-(4-amino-3-ethylpyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-(dimethylamino)but-2-enamide
CID 123881022
1-(2-ethylphenyl)-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 86766176
3-ethyl-6-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 57350722
3-N-(3-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 118516884
4-(4-amino-3-ethylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol
CID 91560998
3-ethyl-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 123186043
1-(3-bromophenyl)-3-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 169273456
3-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 57350721
ethane;3-methyl-1-phenylpyrazolo[4,5-d]pyrimidin-7-amine
CID 145011169
5-benzyl-7-ethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 161037296
3-(4-phenoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 167362273

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 57350625) is 3-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is CCc1nn(-c2ccccc2)c2ncnc(N)c12.
What is the InChIKey of 3-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is DRXGQDZALOKTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-2-10-11-12(14)15-8-16-13(11)18(17-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,14,15,16).
What are the key properties of 3-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
3-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 239.28 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 57350625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).