1-(2-ethoxyethyl)-3-(2-methoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine

C20H29N9O2 — CID 70323708

IUPAC1-(2-ethoxyethyl)-3-(2-methoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCOCCn1nc(CCOC)c2nc(N3CCNCC3)nc(Nc3ccncn3)c21
InChIInChI=1S/C20H29N9O2/c1-3-31-13-11-29-18-17(15(27-29)5-12-30-2)25-20(28-9-7-21-8-10-28)26-19(18)24-16-4-6-22-14-23-16/h4,6,14,21H,3,5,7-13H2,1-2H3,(H,22,23,24,25,26)
InChIKeyLGDGPOPLCGABMM-UHFFFAOYSA-N
MW427.51 g/mol
LogP0.99
Rot. Bonds10

About 1-(2-ethoxyethyl)-3-(2-methoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine

1-(2-ethoxyethyl)-3-(2-methoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 70323708) has the molecular formula C20H29N9O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-(2-methoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-(2-methoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID70323708
Molecular FormulaC20H29N9O2
Molecular Weight427.51 g/mol
Exact Mass427.24
IUPAC Name1-(2-ethoxyethyl)-3-(2-methoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCOCCn1nc(CCOC)c2nc(N3CCNCC3)nc(Nc3ccncn3)c21
InChIInChI=1S/C20H29N9O2/c1-3-31-13-11-29-18-17(15(27-29)5-12-30-2)25-20(28-9-7-21-8-10-28)26-19(18)24-16-4-6-22-14-23-16/h4,6,14,21H,3,5,7-13H2,1-2H3,(H,22,23,24,25,26)
InChIKeyLGDGPOPLCGABMM-UHFFFAOYSA-N
XLogP0.99
TPSA115.14 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.51
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyethyl)-3-(methoxymethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 58935609
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-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 69368950
3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-ethoxyethyl)-5-[(3R)-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 69371350
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
3-ethyl-1-(2-methoxyethyl)-N-(5-methyl-1H-pyrazol-3-yl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 58935460
1-(2-ethoxyethyl)-3-methyl-N-(4-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 46888542
4-[3-ethyl-7-(pyrimidin-4-ylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[4,5-d]pyrimidin-5-yl]piperazin-2-one
CID 46887034
2-[4-[3-ethyl-7-(pyrimidin-4-ylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[4,5-d]pyrimidin-5-yl]piperazin-1-yl]ethanol
CID 11555033
(3R)-1-[1-(2-ethoxyethyl)-3-methyl-7-(pyrimidin-4-ylamino)pyrazolo[4,5-d]pyrimidin-5-yl]piperidine-3-carboxylic acid
CID 69368504

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3-(2-methoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 1-(2-ethoxyethyl)-3-(2-methoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine (CID 70323708) is 1-(2-ethoxyethyl)-3-(2-methoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-(2-methoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 1-(2-ethoxyethyl)-3-(2-methoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine is CCOCCn1nc(CCOC)c2nc(N3CCNCC3)nc(Nc3ccncn3)c21.
What is the InChIKey of 1-(2-ethoxyethyl)-3-(2-methoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is LGDGPOPLCGABMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N9O2/c1-3-31-13-11-29-18-17(15(27-29)5-12-30-2)25-20(28-9-7-21-8-10-28)26-19(18)24-16-4-6-22-14-23-16/h4,6,14,21H,3,5,7-13H2,1-2H3,(H,22,23,24,25,26).
What are the key properties of 1-(2-ethoxyethyl)-3-(2-methoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine?
1-(2-ethoxyethyl)-3-(2-methoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 427.51 g/mol, XLogP of 0.99, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-(2-methoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 70323708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).