N-ethyl-4-(2-methylthiophen-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine

C12H13N5S — CID 102838373

IUPACN-ethyl-4-(2-methylthiophen-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCCNc1nc(-c2ccsc2C)c2cn[nH]c2n1
InChIInChI=1S/C12H13N5S/c1-3-13-12-15-10(8-4-5-18-7(8)2)9-6-14-17-11(9)16-12/h4-6H,3H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyJFZNUEZWBZMPJJ-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.82
Rot. Bonds3

About N-ethyl-4-(2-methylthiophen-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine

N-ethyl-4-(2-methylthiophen-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 102838373) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is N-ethyl-4-(2-methylthiophen-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-methylthiophen-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID102838373
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC NameN-ethyl-4-(2-methylthiophen-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCCNc1nc(-c2ccsc2C)c2cn[nH]c2n1
InChIInChI=1S/C12H13N5S/c1-3-13-12-15-10(8-4-5-18-7(8)2)9-6-14-17-11(9)16-12/h4-6H,3H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyJFZNUEZWBZMPJJ-UHFFFAOYSA-N
XLogP2.82
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-ethyl-4-(2-methylthiophen-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-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-ethyl-4-(2-fluoro-3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 82792824
N-ethyl-6-(2-methylthiophen-3-yl)pyrazin-2-amine
CID 102838556
4-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 106463771
2-tert-butyl-N-ethyl-5-methyl-6-(2-methylthiophen-3-yl)pyrimidin-4-amine
CID 102838645
4-N-(3,3-dimethylbutan-2-yl)-6-N-ethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 104830500
4-(2-cyclopropylethoxy)-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 114158228
2-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]ethyl carbamate
CID 83215771
3-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-1-ol
CID 83178553
4-[(2-bromophenyl)methoxy]-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 82807611
N-ethyl-4-(1H-imidazol-2-ylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 107784942
N-ethyl-4-(2-ethylazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 104693017
6-N-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 103012320

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methylthiophen-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of N-ethyl-4-(2-methylthiophen-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine (CID 102838373) is N-ethyl-4-(2-methylthiophen-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for N-ethyl-4-(2-methylthiophen-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for N-ethyl-4-(2-methylthiophen-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine is CCNc1nc(-c2ccsc2C)c2cn[nH]c2n1.
What is the InChIKey of N-ethyl-4-(2-methylthiophen-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is JFZNUEZWBZMPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-3-13-12-15-10(8-4-5-18-7(8)2)9-6-14-17-11(9)16-12/h4-6H,3H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of N-ethyl-4-(2-methylthiophen-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
N-ethyl-4-(2-methylthiophen-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 259.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methylthiophen-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 102838373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).