6-N-[2-(dimethylamino)ethyl]-1-methyl-4-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine

C16H21N7 — CID 50795105

IUPAC6-N-[2-(dimethylamino)ethyl]-1-methyl-4-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCN(C)CCNc1nc(Nc2ccccc2)c2cnn(C)c2n1
InChIInChI=1S/C16H21N7/c1-22(2)10-9-17-16-20-14(19-12-7-5-4-6-8-12)13-11-18-23(3)15(13)21-16/h4-8,11H,9-10H2,1-3H3,(H2,17,19,20,21)
InChIKeyKUQGNYIRWLHWFX-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.08
Rot. Bonds6

About 6-N-[2-(dimethylamino)ethyl]-1-methyl-4-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine

6-N-[2-(dimethylamino)ethyl]-1-methyl-4-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 50795105) has the molecular formula C16H21N7 and a molecular weight of 311.39 g/mol. Its IUPAC name is 6-N-[2-(dimethylamino)ethyl]-1-methyl-4-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[2-(dimethylamino)ethyl]-1-methyl-4-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID50795105
Molecular FormulaC16H21N7
Molecular Weight311.39 g/mol
Exact Mass311.19
IUPAC Name6-N-[2-(dimethylamino)ethyl]-1-methyl-4-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCN(C)CCNc1nc(Nc2ccccc2)c2cnn(C)c2n1
InChIInChI=1S/C16H21N7/c1-22(2)10-9-17-16-20-14(19-12-7-5-4-6-8-12)13-11-18-23(3)15(13)21-16/h4-8,11H,9-10H2,1-3H3,(H2,17,19,20,21)
InChIKeyKUQGNYIRWLHWFX-UHFFFAOYSA-N
XLogP2.08
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(dimethylamino)ethyl]-1-methyl-4-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[2-(dimethylamino)ethyl]-1-methyl-4-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 50795105) is 6-N-[2-(dimethylamino)ethyl]-1-methyl-4-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[2-(dimethylamino)ethyl]-1-methyl-4-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[2-(dimethylamino)ethyl]-1-methyl-4-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine is CN(C)CCNc1nc(Nc2ccccc2)c2cnn(C)c2n1.
What is the InChIKey of 6-N-[2-(dimethylamino)ethyl]-1-methyl-4-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is KUQGNYIRWLHWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7/c1-22(2)10-9-17-16-20-14(19-12-7-5-4-6-8-12)13-11-18-23(3)15(13)21-16/h4-8,11H,9-10H2,1-3H3,(H2,17,19,20,21).
What are the key properties of 6-N-[2-(dimethylamino)ethyl]-1-methyl-4-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
6-N-[2-(dimethylamino)ethyl]-1-methyl-4-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 311.39 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(dimethylamino)ethyl]-1-methyl-4-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 50795105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).