2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine

C5H6N6 — CID 12036561

IUPAC2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine
SMILESNc1ncnc2n[nH]c(N)c12
InChIInChI=1S/C5H6N6/c6-3-2-4(7)10-11-5(2)9-1-8-3/h1H,(H5,6,7,8,9,10,11)
InChIKeyBDVYCPCRSZEUMD-UHFFFAOYSA-N
MW150.15 g/mol
LogP-0.48
Rot. Bonds

About 2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine

2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine (PubChem CID 12036561) has the molecular formula C5H6N6 and a molecular weight of 150.15 g/mol. Its IUPAC name is 2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine.

Molecular Properties

Compound Name2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine
PubChem CID12036561
Molecular FormulaC5H6N6
Molecular Weight150.15 g/mol
Exact Mass150.07
IUPAC Name2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine
SMILESNc1ncnc2n[nH]c(N)c12
InChIInChI=1S/C5H6N6/c6-3-2-4(7)10-11-5(2)9-1-8-3/h1H,(H5,6,7,8,9,10,11)
InChIKeyBDVYCPCRSZEUMD-UHFFFAOYSA-N
XLogP-0.48
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Pyrazolo[3,4-d]pyrimidin-4-amine
CID 75420
1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 94753
N,N-Dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 221159
n-Methyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 221158
4-Chloro-1H-pyrazolo[3,4-d]pyrimidine
CID 221095
3-Bromo-1H-Pyrazolo(3,4-D)Pyrimidin-4-Amine
CID 340230
N-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 221086
4-N,6-N-dimethyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 223696
3-Bromo-4-chloro-1H-pyrazolo[3,4-d]pyrimidine
CID 340228
3-iodo-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 1519489
4-Hydrazinyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidine
CID 219785
N-ethyl-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 223708

Frequently Asked Questions

What is the IUPAC name of 2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine?
The IUPAC name of 2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine (CID 12036561) is 2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine.
What is the SMILES notation for 2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine?
The canonical SMILES for 2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine is Nc1ncnc2n[nH]c(N)c12.
What is the InChIKey of 2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine?
The InChIKey is BDVYCPCRSZEUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6/c6-3-2-4(7)10-11-5(2)9-1-8-3/h1H,(H5,6,7,8,9,10,11).
What are the key properties of 2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine?
2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine has a molecular weight of 150.15 g/mol, XLogP of -0.48, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine is sourced from PubChem (CID 12036561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).