1-(2-ethoxyethyl)-3-ethyl-5-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine

C18H24N6O — CID 70999666

IUPAC1-(2-ethoxyethyl)-3-ethyl-5-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCOCCn1nc(CC)c2nc(C)nc(Nc3cc(C)ccn3)c21
InChIInChI=1S/C18H24N6O/c1-5-14-16-17(24(23-14)9-10-25-6-2)18(21-13(4)20-16)22-15-11-12(3)7-8-19-15/h7-8,11H,5-6,9-10H2,1-4H3,(H,19,20,21,22)
InChIKeyRMMVXGQCXCOCEI-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.18
Rot. Bonds7

About 1-(2-ethoxyethyl)-3-ethyl-5-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine

1-(2-ethoxyethyl)-3-ethyl-5-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 70999666) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-ethyl-5-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-ethyl-5-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID70999666
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name1-(2-ethoxyethyl)-3-ethyl-5-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCOCCn1nc(CC)c2nc(C)nc(Nc3cc(C)ccn3)c21
InChIInChI=1S/C18H24N6O/c1-5-14-16-17(24(23-14)9-10-25-6-2)18(21-13(4)20-16)22-15-11-12(3)7-8-19-15/h7-8,11H,5-6,9-10H2,1-4H3,(H,19,20,21,22)
InChIKeyRMMVXGQCXCOCEI-UHFFFAOYSA-N
XLogP3.18
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.18
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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Related Compounds

5-chloro-3-ethyl-1-(2-methoxyethyl)-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 58935651
5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-1-(2-ethoxyethyl)-3-ethyl-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 68925751
5-chloro-3-ethyl-N-(4-methyl-2-pyridinyl)-1-propylpyrazolo[4,5-d]pyrimidin-7-amine;propane
CID 143221039
2-[[1-(2-ethoxyethyl)-3-(methylaminomethyl)-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidin-5-yl]methylamino]ethanol
CID 69051990
5-chloro-3-(methoxymethyl)-N-(4-methyl-2-pyridinyl)-1-(2-propoxyethyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 58935524
1-(2-ethoxyethyl)-3-(ethoxymethyl)-5-(3-methylpiperazin-1-yl)-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine;dihydrochloride
CID 68889438
1-(2-ethoxyethyl)-3-methyl-N-(4-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 46888542
1-(2-ethoxyethyl)-3-(methoxymethyl)-5-[(3R)-3-methylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 11385153
5-chloro-3-(chloromethyl)-N-(4-methyl-2-pyridinyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[4,5-d]pyrimidin-7-amine
CID 58935461
1-(2-ethoxyethyl)-N-ethyl-5-(ethylamino)-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidine-3-carboxamide
CID 11292843
5-(3,8-diazabicyclo[3.2.1]octan-3-yl)-1-(2-ethoxyethyl)-3-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 58935458
5-chloro-3-ethyl-N-(2-methylpyrimidin-4-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[4,5-d]pyrimidin-7-amine
CID 58935509

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3-ethyl-5-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 1-(2-ethoxyethyl)-3-ethyl-5-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine (CID 70999666) is 1-(2-ethoxyethyl)-3-ethyl-5-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-ethyl-5-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 1-(2-ethoxyethyl)-3-ethyl-5-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine is CCOCCn1nc(CC)c2nc(C)nc(Nc3cc(C)ccn3)c21.
What is the InChIKey of 1-(2-ethoxyethyl)-3-ethyl-5-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is RMMVXGQCXCOCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-5-14-16-17(24(23-14)9-10-25-6-2)18(21-13(4)20-16)22-15-11-12(3)7-8-19-15/h7-8,11H,5-6,9-10H2,1-4H3,(H,19,20,21,22).
What are the key properties of 1-(2-ethoxyethyl)-3-ethyl-5-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine?
1-(2-ethoxyethyl)-3-ethyl-5-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 340.43 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-ethyl-5-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 70999666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).