4-N-benzyl-6-N,6-N-dimethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

C14H16N6 — CID 11747590

IUPAC4-N-benzyl-6-N,6-N-dimethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCN(C)c1nc(NCc2ccccc2)c2cn[nH]c2n1
InChIInChI=1S/C14H16N6/c1-20(2)14-17-12(11-9-16-19-13(11)18-14)15-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyGQANHDBWSRSSKP-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.03
Rot. Bonds4

About 4-N-benzyl-6-N,6-N-dimethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

4-N-benzyl-6-N,6-N-dimethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (PubChem CID 11747590) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-N-benzyl-6-N,6-N-dimethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-benzyl-6-N,6-N-dimethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
PubChem CID11747590
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name4-N-benzyl-6-N,6-N-dimethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCN(C)c1nc(NCc2ccccc2)c2cn[nH]c2n1
InChIInChI=1S/C14H16N6/c1-20(2)14-17-12(11-9-16-19-13(11)18-14)15-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyGQANHDBWSRSSKP-UHFFFAOYSA-N
XLogP2.03
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-N,6-N-dimethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-benzyl-6-N,6-N-dimethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (CID 11747590) is 4-N-benzyl-6-N,6-N-dimethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-benzyl-6-N,6-N-dimethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-benzyl-6-N,6-N-dimethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is CN(C)c1nc(NCc2ccccc2)c2cn[nH]c2n1.
What is the InChIKey of 4-N-benzyl-6-N,6-N-dimethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is GQANHDBWSRSSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-20(2)14-17-12(11-9-16-19-13(11)18-14)15-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 4-N-benzyl-6-N,6-N-dimethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
4-N-benzyl-6-N,6-N-dimethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 268.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-N,6-N-dimethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 11747590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).