1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine;ethane

C15H28N6 — CID 145130130

IUPAC1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine;ethane
SMILESCC.Cc1nn(CC(C)(C)CN(C)C)c2ncnc(N)c12
InChIInChI=1S/C13H22N6.C2H6/c1-9-10-11(14)15-8-16-12(10)19(17-9)7-13(2,3)6-18(4)5;1-2/h8H,6-7H2,1-5H3,(H2,14,15,16);1-2H3
InChIKeyJGQPGDWHSBWEHB-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.33
Rot. Bonds4

About 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine;ethane

1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine;ethane (PubChem CID 145130130) has the molecular formula C15H28N6 and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine;ethane.

Molecular Properties

Compound Name1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine;ethane
PubChem CID145130130
Molecular FormulaC15H28N6
Molecular Weight292.43 g/mol
Exact Mass292.24
IUPAC Name1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine;ethane
SMILESCC.Cc1nn(CC(C)(C)CN(C)C)c2ncnc(N)c12
InChIInChI=1S/C13H22N6.C2H6/c1-9-10-11(14)15-8-16-12(10)19(17-9)7-13(2,3)6-18(4)5;1-2/h8H,6-7H2,1-5H3,(H2,14,15,16);1-2H3
InChIKeyJGQPGDWHSBWEHB-UHFFFAOYSA-N
XLogP2.33
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine;ethane 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 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine;ethane?
The IUPAC name of 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine;ethane (CID 145130130) is 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine;ethane.
What is the SMILES notation for 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine;ethane?
The canonical SMILES for 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine;ethane is CC.Cc1nn(CC(C)(C)CN(C)C)c2ncnc(N)c12.
What is the InChIKey of 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine;ethane?
The InChIKey is JGQPGDWHSBWEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6.C2H6/c1-9-10-11(14)15-8-16-12(10)19(17-9)7-13(2,3)6-18(4)5;1-2/h8H,6-7H2,1-5H3,(H2,14,15,16);1-2H3.
What are the key properties of 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine;ethane?
1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine;ethane has a molecular weight of 292.43 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine;ethane is sourced from PubChem (CID 145130130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).