N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C19H26N6 — CID 95707471

IUPACN-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1nc(N[C@@H](CC(C)(C)C)c2cccnc2)c2cnn(C)c2n1
InChIInChI=1S/C19H26N6/c1-6-16-23-17(14-12-21-25(5)18(14)24-16)22-15(10-19(2,3)4)13-8-7-9-20-11-13/h7-9,11-12,15H,6,10H2,1-5H3,(H,22,23,24)/t15-/m0/s1
InChIKeyVQVKYXPYQRQRAM-HNNXBMFYSA-N
MW338.46 g/mol
LogP3.91
Rot. Bonds5

About N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 95707471) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID95707471
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC NameN-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1nc(N[C@@H](CC(C)(C)C)c2cccnc2)c2cnn(C)c2n1
InChIInChI=1S/C19H26N6/c1-6-16-23-17(14-12-21-25(5)18(14)24-16)22-15(10-19(2,3)4)13-8-7-9-20-11-13/h7-9,11-12,15H,6,10H2,1-5H3,(H,22,23,24)/t15-/m0/s1
InChIKeyVQVKYXPYQRQRAM-HNNXBMFYSA-N
XLogP3.91
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]-6-ethyl-1-methylpyrazolo[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

6-ethyl-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95730110
6-cyclopentyl-1-methyl-N-[(1S)-1-pyridin-3-ylpropyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95872463
(1S)-N-(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 95728731
1-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95707102
5-chloro-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-fluoropyridin-2-amine
CID 134714092
4-(1,3-dimethylpyrazol-4-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyrimidin-2-amine
CID 46990527
1-methyl-6-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 56913267
3-(4-methylphenyl)-3-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propan-1-ol
CID 56906863
N-[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 97192507
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95721786
5-[[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-1,3-dimethylbenzimidazol-2-one
CID 56883067
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 176502635

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 95707471) is N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is CCc1nc(N[C@@H](CC(C)(C)C)c2cccnc2)c2cnn(C)c2n1.
What is the InChIKey of N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is VQVKYXPYQRQRAM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N6/c1-6-16-23-17(14-12-21-25(5)18(14)24-16)22-15(10-19(2,3)4)13-8-7-9-20-11-13/h7-9,11-12,15H,6,10H2,1-5H3,(H,22,23,24)/t15-/m0/s1.
What are the key properties of N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 338.46 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95707471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).