1-ethyl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea

C8H10N6O — CID 58817809

IUPAC1-ethyl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea
SMILESCCNC(=O)Nc1ncnc2[nH]ncc12
InChIInChI=1S/C8H10N6O/c1-2-9-8(15)13-6-5-3-12-14-7(5)11-4-10-6/h3-4H,2H2,1H3,(H3,9,10,11,12,13,14,15)
InChIKeyWULMUQNUEMIGII-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.49
Rot. Bonds2

About 1-ethyl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea

1-ethyl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea (PubChem CID 58817809) has the molecular formula C8H10N6O and a molecular weight of 206.21 g/mol. Its IUPAC name is 1-ethyl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea
PubChem CID58817809
Molecular FormulaC8H10N6O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name1-ethyl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea
SMILESCCNC(=O)Nc1ncnc2[nH]ncc12
InChIInChI=1S/C8H10N6O/c1-2-9-8(15)13-6-5-3-12-14-7(5)11-4-10-6/h3-4H,2H2,1H3,(H3,9,10,11,12,13,14,15)
InChIKeyWULMUQNUEMIGII-UHFFFAOYSA-N
XLogP0.49
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea 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 1-ethyl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea?
The IUPAC name of 1-ethyl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea (CID 58817809) is 1-ethyl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea.
What is the SMILES notation for 1-ethyl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea?
The canonical SMILES for 1-ethyl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea is CCNC(=O)Nc1ncnc2[nH]ncc12.
What is the InChIKey of 1-ethyl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea?
The InChIKey is WULMUQNUEMIGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O/c1-2-9-8(15)13-6-5-3-12-14-7(5)11-4-10-6/h3-4H,2H2,1H3,(H3,9,10,11,12,13,14,15).
What are the key properties of 1-ethyl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea?
1-ethyl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea has a molecular weight of 206.21 g/mol, XLogP of 0.49, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea is sourced from PubChem (CID 58817809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).