1-(2-ethoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine

C17H23N9O — CID 69368950

IUPAC1-(2-ethoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCOCCn1ncc2nc(N3CCNCC3)nc(Nc3ccncn3)c21
InChIInChI=1S/C17H23N9O/c1-2-27-10-9-26-15-13(11-21-26)22-17(25-7-5-18-6-8-25)24-16(15)23-14-3-4-19-12-20-14/h3-4,11-12,18H,2,5-10H2,1H3,(H,19,20,22,23,24)
InChIKeyIENLLMKMPRWGDL-UHFFFAOYSA-N
MW369.43 g/mol
LogP0.81
Rot. Bonds7

About 1-(2-ethoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine

1-(2-ethoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 69368950) has the molecular formula C17H23N9O and a molecular weight of 369.43 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID69368950
Molecular FormulaC17H23N9O
Molecular Weight369.43 g/mol
Exact Mass369.20
IUPAC Name1-(2-ethoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCOCCn1ncc2nc(N3CCNCC3)nc(Nc3ccncn3)c21
InChIInChI=1S/C17H23N9O/c1-2-27-10-9-26-15-13(11-21-26)22-17(25-7-5-18-6-8-25)24-16(15)23-14-3-4-19-12-20-14/h3-4,11-12,18H,2,5-10H2,1H3,(H,19,20,22,23,24)
InChIKeyIENLLMKMPRWGDL-UHFFFAOYSA-N
XLogP0.81
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxyethyl)-N-(5-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 69369444
5-(1,4-diazepan-1-yl)-N-pyrimidin-4-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[4,5-d]pyrimidin-7-amine
CID 69370851
(3S)-1-[1-(2-ethoxyethyl)-7-(pyrimidin-4-ylamino)pyrazolo[4,5-d]pyrimidin-5-yl]piperidine-3-carboxylic acid
CID 69369682
1-(2-ethoxyethyl)-3-(methoxymethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 58935609
1-(2-ethoxyethyl)-3-(2-methoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 70323708
3-[2-(cyclopropylmethoxy)ethyl]-1-(2-ethoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 70323709
ethane;1-(2-ethoxyethyl)-3-ethyl-5-(3-methylpiperazin-1-yl)-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 143455026
1-(2-ethoxyethyl)-5-[(3S)-3-ethylpiperazin-1-yl]-3-methyl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 69369705
5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-1-(2-ethoxyethyl)-3-methyl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 69369594
[2-(2-ethoxyethoxy)-1-[5-(2-ethoxyethylamino)-2-piperazin-1-yl-6-(pyrimidin-4-ylamino)pyrimidin-4-yl]ethylidene]azanium
CID 143220940
6-[2-(2-ethoxyethoxy)ethanimidoyl]-5-N-(2-ethoxyethyl)-2-piperazin-1-yl-4-N-pyrimidin-4-ylpyrimidine-4,5-diamine
CID 143220941
1-(2-ethoxyethyl)-3-methyl-N-(4-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 46888542

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 1-(2-ethoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine (CID 69368950) is 1-(2-ethoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 1-(2-ethoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 1-(2-ethoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine is CCOCCn1ncc2nc(N3CCNCC3)nc(Nc3ccncn3)c21.
What is the InChIKey of 1-(2-ethoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is IENLLMKMPRWGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N9O/c1-2-27-10-9-26-15-13(11-21-26)22-17(25-7-5-18-6-8-25)24-16(15)23-14-3-4-19-12-20-14/h3-4,11-12,18H,2,5-10H2,1H3,(H,19,20,22,23,24).
What are the key properties of 1-(2-ethoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine?
1-(2-ethoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 369.43 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 69368950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).