N'-(3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine

C13H14N6 — CID 82027116

IUPACN'-(3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESNCCNc1ncnc2n[nH]c(-c3ccccc3)c12
InChIInChI=1S/C13H14N6/c14-6-7-15-12-10-11(9-4-2-1-3-5-9)18-19-13(10)17-8-16-12/h1-5,8H,6-7,14H2,(H2,15,16,17,18,19)
InChIKeyLMNQUGIYVGDIHJ-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.39
Rot. Bonds4

About N'-(3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine

N'-(3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 82027116) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is N'-(3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
PubChem CID82027116
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC NameN'-(3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESNCCNc1ncnc2n[nH]c(-c3ccccc3)c12
InChIInChI=1S/C13H14N6/c14-6-7-15-12-10-11(9-4-2-1-3-5-9)18-19-13(10)17-8-16-12/h1-5,8H,6-7,14H2,(H2,15,16,17,18,19)
InChIKeyLMNQUGIYVGDIHJ-UHFFFAOYSA-N
XLogP1.39
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N'-(3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine 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 N'-(3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-(3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine (CID 82027116) is N'-(3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine is NCCNc1ncnc2n[nH]c(-c3ccccc3)c12.
What is the InChIKey of N'-(3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is LMNQUGIYVGDIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c14-6-7-15-12-10-11(9-4-2-1-3-5-9)18-19-13(10)17-8-16-12/h1-5,8H,6-7,14H2,(H2,15,16,17,18,19).
What are the key properties of N'-(3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
N'-(3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 254.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 82027116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).