2-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]ethyl carbamate

C10H15N7O2 — CID 83215771

IUPAC2-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]ethyl carbamate
SMILESCCNc1nc(NCCOC(N)=O)c2cn[nH]c2n1
InChIInChI=1S/C10H15N7O2/c1-2-12-10-15-7(13-3-4-19-9(11)18)6-5-14-17-8(6)16-10/h5H,2-4H2,1H3,(H2,11,18)(H3,12,13,14,15,16,17)
InChIKeyQEKPDONJBZQLNX-UHFFFAOYSA-N
MW265.28 g/mol
LogP0.29
Rot. Bonds6

About 2-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]ethyl carbamate

2-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]ethyl carbamate (PubChem CID 83215771) has the molecular formula C10H15N7O2 and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]ethyl carbamate
PubChem CID83215771
Molecular FormulaC10H15N7O2
Molecular Weight265.28 g/mol
Exact Mass265.13
IUPAC Name2-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]ethyl carbamate
SMILESCCNc1nc(NCCOC(N)=O)c2cn[nH]c2n1
InChIInChI=1S/C10H15N7O2/c1-2-12-10-15-7(13-3-4-19-9(11)18)6-5-14-17-8(6)16-10/h5H,2-4H2,1H3,(H2,11,18)(H3,12,13,14,15,16,17)
InChIKeyQEKPDONJBZQLNX-UHFFFAOYSA-N
XLogP0.29
TPSA130.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 50.29
H-Bond Donors ≤ 54
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-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]ethyl carbamate?
The IUPAC name of 2-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]ethyl carbamate (CID 83215771) is 2-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]ethyl carbamate?
The canonical SMILES for 2-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]ethyl carbamate is CCNc1nc(NCCOC(N)=O)c2cn[nH]c2n1.
What is the InChIKey of 2-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]ethyl carbamate?
The InChIKey is QEKPDONJBZQLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O2/c1-2-12-10-15-7(13-3-4-19-9(11)18)6-5-14-17-8(6)16-10/h5H,2-4H2,1H3,(H2,11,18)(H3,12,13,14,15,16,17).
What are the key properties of 2-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]ethyl carbamate?
2-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]ethyl carbamate has a molecular weight of 265.28 g/mol, XLogP of 0.29, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]ethyl carbamate is sourced from PubChem (CID 83215771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).