N-[2-[(6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]acetamide

C15H16N6O — CID 10108600

IUPACN-[2-[(6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]ncc12
InChIInChI=1S/C15H16N6O/c1-10(22)16-7-8-17-14-12-9-18-21-15(12)20-13(19-14)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,16,22)(H2,17,18,19,20,21)
InChIKeyZMTHCVRICUEXMS-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.57
Rot. Bonds5

About N-[2-[(6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]acetamide

N-[2-[(6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]acetamide (PubChem CID 10108600) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[2-[(6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]acetamide
PubChem CID10108600
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC NameN-[2-[(6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]ncc12
InChIInChI=1S/C15H16N6O/c1-10(22)16-7-8-17-14-12-9-18-21-15(12)20-13(19-14)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,16,22)(H2,17,18,19,20,21)
InChIKeyZMTHCVRICUEXMS-UHFFFAOYSA-N
XLogP1.57
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 N-[2-[(6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]acetamide (CID 10108600) is N-[2-[(6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]acetamide is CC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]ncc12.
What is the InChIKey of N-[2-[(6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]acetamide?
The InChIKey is ZMTHCVRICUEXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-10(22)16-7-8-17-14-12-9-18-21-15(12)20-13(19-14)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,16,22)(H2,17,18,19,20,21).
What are the key properties of N-[2-[(6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]acetamide?
N-[2-[(6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]acetamide has a molecular weight of 296.33 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]acetamide is sourced from PubChem (CID 10108600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).