4,6-diethyl-1H-pyrazolo[3,4-d]pyrimidine

C9H12N4 — CID 70667644

IUPAC4,6-diethyl-1H-pyrazolo[3,4-d]pyrimidine
SMILESCCc1nc(CC)c2cn[nH]c2n1
InChIInChI=1S/C9H12N4/c1-3-7-6-5-10-13-9(6)12-8(4-2)11-7/h5H,3-4H2,1-2H3,(H,10,11,12,13)
InChIKeyKEYRIOAXNRPNBN-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.48
Rot. Bonds2

About 4,6-diethyl-1H-pyrazolo[3,4-d]pyrimidine

4,6-diethyl-1H-pyrazolo[3,4-d]pyrimidine (PubChem CID 70667644) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 4,6-diethyl-1H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4,6-diethyl-1H-pyrazolo[3,4-d]pyrimidine
PubChem CID70667644
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name4,6-diethyl-1H-pyrazolo[3,4-d]pyrimidine
SMILESCCc1nc(CC)c2cn[nH]c2n1
InChIInChI=1S/C9H12N4/c1-3-7-6-5-10-13-9(6)12-8(4-2)11-7/h5H,3-4H2,1-2H3,(H,10,11,12,13)
InChIKeyKEYRIOAXNRPNBN-UHFFFAOYSA-N
XLogP1.48
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-diethyl-1H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 4,6-diethyl-1H-pyrazolo[3,4-d]pyrimidine (CID 70667644) is 4,6-diethyl-1H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 4,6-diethyl-1H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 4,6-diethyl-1H-pyrazolo[3,4-d]pyrimidine is CCc1nc(CC)c2cn[nH]c2n1.
What is the InChIKey of 4,6-diethyl-1H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is KEYRIOAXNRPNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-3-7-6-5-10-13-9(6)12-8(4-2)11-7/h5H,3-4H2,1-2H3,(H,10,11,12,13).
What are the key properties of 4,6-diethyl-1H-pyrazolo[3,4-d]pyrimidine?
4,6-diethyl-1H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 176.22 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethyl-1H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 70667644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).