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

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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).