6-ethyl-3-methyl-1-phenyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C17H21N5 — CID 42670648

IUPAC6-ethyl-3-methyl-1-phenyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1nc(NC(C)C)c2c(C)nn(-c3ccccc3)c2n1
InChIInChI=1S/C17H21N5/c1-5-14-19-16(18-11(2)3)15-12(4)21-22(17(15)20-14)13-9-7-6-8-10-13/h6-11H,5H2,1-4H3,(H,18,19,20)
InChIKeySVGCRJJGDBFZPU-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.51
Rot. Bonds4

About 6-ethyl-3-methyl-1-phenyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

6-ethyl-3-methyl-1-phenyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 42670648) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 6-ethyl-3-methyl-1-phenyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-3-methyl-1-phenyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID42670648
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name6-ethyl-3-methyl-1-phenyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1nc(NC(C)C)c2c(C)nn(-c3ccccc3)c2n1
InChIInChI=1S/C17H21N5/c1-5-14-19-16(18-11(2)3)15-12(4)21-22(17(15)20-14)13-9-7-6-8-10-13/h6-11H,5H2,1-4H3,(H,18,19,20)
InChIKeySVGCRJJGDBFZPU-UHFFFAOYSA-N
XLogP3.51
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-ethyl-3-methyl-1-phenyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[6-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]cyclohexyl]benzamide
CID 42679259
N-[4-[[6-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methylpropanamide
CID 42679253
N'-(3,6-dimethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 42671783
6-ethyl-3-methyl-1-phenyl-4-(4-propylsulfonylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 42671620
3-methyl-1-phenyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 18802094
[4-(6-ethyl-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 42671448
N-[4-[[6-(methoxymethyl)-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl]amino]cyclohexyl]cyclopentanecarboxamide
CID 42673553
6,10-dimethyl-4,12-diphenyl-8-pyridin-2-yl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene
CID 11165952
5-ethyl-N,3-dimethyl-1-phenylpyrazolo[3,4-b]pyridin-4-amine
CID 54041189
6-ethyl-3-methyl-1-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 42670632
1-methyl-5-pentyl-3-phenyl-6,7,8,9-tetrahydropyrazolo[5,4-c]isoquinoline
CID 102138469
3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carbonitrile
CID 45123383

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-1-phenyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-3-methyl-1-phenyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 42670648) is 6-ethyl-3-methyl-1-phenyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-3-methyl-1-phenyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-3-methyl-1-phenyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CCc1nc(NC(C)C)c2c(C)nn(-c3ccccc3)c2n1.
What is the InChIKey of 6-ethyl-3-methyl-1-phenyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is SVGCRJJGDBFZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-5-14-19-16(18-11(2)3)15-12(4)21-22(17(15)20-14)13-9-7-6-8-10-13/h6-11H,5H2,1-4H3,(H,18,19,20).
What are the key properties of 6-ethyl-3-methyl-1-phenyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
6-ethyl-3-methyl-1-phenyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 295.39 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-1-phenyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 42670648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).