N'-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)hexane-1,6-diamine

C13H22N6 — CID 70751320

IUPACN'-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)hexane-1,6-diamine
SMILESCc1nn(C)c2ncnc(NCCCCCCN)c12
InChIInChI=1S/C13H22N6/c1-10-11-12(15-8-6-4-3-5-7-14)16-9-17-13(11)19(2)18-10/h9H,3-8,14H2,1-2H3,(H,15,16,17)
InChIKeyZZCIQHDOWORNKP-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.60
Rot. Bonds7

About N'-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)hexane-1,6-diamine

N'-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)hexane-1,6-diamine (PubChem CID 70751320) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is N'-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)hexane-1,6-diamine
PubChem CID70751320
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC NameN'-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)hexane-1,6-diamine
SMILESCc1nn(C)c2ncnc(NCCCCCCN)c12
InChIInChI=1S/C13H22N6/c1-10-11-12(15-8-6-4-3-5-7-14)16-9-17-13(11)19(2)18-10/h9H,3-8,14H2,1-2H3,(H,15,16,17)
InChIKeyZZCIQHDOWORNKP-UHFFFAOYSA-N
XLogP1.60
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)hexane-1,6-diamine?
The IUPAC name of N'-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)hexane-1,6-diamine (CID 70751320) is N'-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)hexane-1,6-diamine.
What is the SMILES notation for N'-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)hexane-1,6-diamine?
The canonical SMILES for N'-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)hexane-1,6-diamine is Cc1nn(C)c2ncnc(NCCCCCCN)c12.
What is the InChIKey of N'-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)hexane-1,6-diamine?
The InChIKey is ZZCIQHDOWORNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-10-11-12(15-8-6-4-3-5-7-14)16-9-17-13(11)19(2)18-10/h9H,3-8,14H2,1-2H3,(H,15,16,17).
What are the key properties of N'-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)hexane-1,6-diamine?
N'-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)hexane-1,6-diamine has a molecular weight of 262.36 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)hexane-1,6-diamine is sourced from PubChem (CID 70751320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).