6-tert-butyl-N,1-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine

C16H21N5S — CID 56900692

IUPAC6-tert-butyl-N,1-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(Cc1cccs1)c1nc(C(C)(C)C)nc2c1cnn2C
InChIInChI=1S/C16H21N5S/c1-16(2,3)15-18-13(12-9-17-21(5)14(12)19-15)20(4)10-11-7-6-8-22-11/h6-9H,10H2,1-5H3
InChIKeyQRBFSKWFUPBEKG-UHFFFAOYSA-N
MW315.45 g/mol
LogP3.36
Rot. Bonds3

About 6-tert-butyl-N,1-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine

6-tert-butyl-N,1-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 56900692) has the molecular formula C16H21N5S and a molecular weight of 315.45 g/mol. Its IUPAC name is 6-tert-butyl-N,1-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N,1-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID56900692
Molecular FormulaC16H21N5S
Molecular Weight315.45 g/mol
Exact Mass315.15
IUPAC Name6-tert-butyl-N,1-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(Cc1cccs1)c1nc(C(C)(C)C)nc2c1cnn2C
InChIInChI=1S/C16H21N5S/c1-16(2,3)15-18-13(12-9-17-21(5)14(12)19-15)20(4)10-11-7-6-8-22-11/h6-9H,10H2,1-5H3
InChIKeyQRBFSKWFUPBEKG-UHFFFAOYSA-N
XLogP3.36
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-tert-butyl-N,1-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-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

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N,1-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-N,1-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine (CID 56900692) is 6-tert-butyl-N,1-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-N,1-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-N,1-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine is CN(Cc1cccs1)c1nc(C(C)(C)C)nc2c1cnn2C.
What is the InChIKey of 6-tert-butyl-N,1-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is QRBFSKWFUPBEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5S/c1-16(2,3)15-18-13(12-9-17-21(5)14(12)19-15)20(4)10-11-7-6-8-22-11/h6-9H,10H2,1-5H3.
What are the key properties of 6-tert-butyl-N,1-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine?
6-tert-butyl-N,1-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 315.45 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N,1-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56900692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).