2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(2-methoxyethyl)acetamide

C14H22N6O2 — CID 53196772

IUPAC2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCCN(CC)c1ncnc2c1cnn2CC(=O)NCCOC
InChIInChI=1S/C14H22N6O2/c1-4-19(5-2)13-11-8-18-20(14(11)17-10-16-13)9-12(21)15-6-7-22-3/h8,10H,4-7,9H2,1-3H3,(H,15,21)
InChIKeyVLPLBYSWCBCVOW-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.44
Rot. Bonds8

About 2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(2-methoxyethyl)acetamide

2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 53196772) has the molecular formula C14H22N6O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID53196772
Molecular FormulaC14H22N6O2
Molecular Weight306.37 g/mol
Exact Mass306.18
IUPAC Name2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCCN(CC)c1ncnc2c1cnn2CC(=O)NCCOC
InChIInChI=1S/C14H22N6O2/c1-4-19(5-2)13-11-8-18-20(14(11)17-10-16-13)9-12(21)15-6-7-22-3/h8,10H,4-7,9H2,1-3H3,(H,15,21)
InChIKeyVLPLBYSWCBCVOW-UHFFFAOYSA-N
XLogP0.44
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(2-methoxyethyl)acetamide (CID 53196772) is 2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(2-methoxyethyl)acetamide is CCN(CC)c1ncnc2c1cnn2CC(=O)NCCOC.
What is the InChIKey of 2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is VLPLBYSWCBCVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2/c1-4-19(5-2)13-11-8-18-20(14(11)17-10-16-13)9-12(21)15-6-7-22-3/h8,10H,4-7,9H2,1-3H3,(H,15,21).
What are the key properties of 2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(2-methoxyethyl)acetamide?
2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 306.37 g/mol, XLogP of 0.44, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 53196772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).