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

C17H21N5OS — CID 126783872

IUPAC1,6-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nc(N(Cc2cccs2)CC2CCCO2)c2cnn(C)c2n1
InChIInChI=1S/C17H21N5OS/c1-12-19-16-15(9-18-21(16)2)17(20-12)22(10-13-5-3-7-23-13)11-14-6-4-8-24-14/h4,6,8-9,13H,3,5,7,10-11H2,1-2H3
InChIKeyCJYYPMAZRUEVGA-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.92
Rot. Bonds5

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

1,6-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 126783872) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is 1,6-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1,6-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID126783872
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name1,6-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nc(N(Cc2cccs2)CC2CCCO2)c2cnn(C)c2n1
InChIInChI=1S/C17H21N5OS/c1-12-19-16-15(9-18-21(16)2)17(20-12)22(10-13-5-3-7-23-13)11-14-6-4-8-24-14/h4,6,8-9,13H,3,5,7,10-11H2,1-2H3
InChIKeyCJYYPMAZRUEVGA-UHFFFAOYSA-N
XLogP2.92
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1,6-dimethyl-N-(oxolan-2-ylmethyl)-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

Related Compounds

3-bromo-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 133365584
2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 46985234
N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 97231150
N-(furan-2-ylmethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 126769853
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 55494988
4-methoxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 133369141
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 60681211
3-(4-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 87044999
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2R)-oxolan-2-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 94541380
1-[(2S)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)-N-(thiophen-2-ylmethyl)methanamine
CID 95904603
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 60717923
1-[(2S)-oxolan-2-yl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine
CID 39973516

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 1,6-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine (CID 126783872) is 1,6-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1,6-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 1,6-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine is Cc1nc(N(Cc2cccs2)CC2CCCO2)c2cnn(C)c2n1.
What is the InChIKey of 1,6-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is CJYYPMAZRUEVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-12-19-16-15(9-18-21(16)2)17(20-12)22(10-13-5-3-7-23-13)11-14-6-4-8-24-14/h4,6,8-9,13H,3,5,7,10-11H2,1-2H3.
What are the key properties of 1,6-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine?
1,6-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 343.46 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 126783872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).