N-(2-methoxyethyl)-2-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-6-amine

C12H19N5O — CID 141189552

IUPACN-(2-methoxyethyl)-2-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCOCCNc1ncc2cn(CC(C)C)nc2n1
InChIInChI=1S/C12H19N5O/c1-9(2)7-17-8-10-6-14-12(13-4-5-18-3)15-11(10)16-17/h6,8-9H,4-5,7H2,1-3H3,(H,13,15,16)
InChIKeyLFWCLUIZINQNSR-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.54
Rot. Bonds6

About N-(2-methoxyethyl)-2-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-6-amine

N-(2-methoxyethyl)-2-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 141189552) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID141189552
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-(2-methoxyethyl)-2-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCOCCNc1ncc2cn(CC(C)C)nc2n1
InChIInChI=1S/C12H19N5O/c1-9(2)7-17-8-10-6-14-12(13-4-5-18-3)15-11(10)16-17/h6,8-9H,4-5,7H2,1-3H3,(H,13,15,16)
InChIKeyLFWCLUIZINQNSR-UHFFFAOYSA-N
XLogP1.54
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-1-[6-(2-methoxyethylamino)-2-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-dihydroinden-2-one
CID 58169808
1-[2-(2-methoxyethylamino)pyrimidin-5-yl]ethanol
CID 140896989
5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine
CID 103726573
N-(3-morpholin-4-ylpropyl)-2-propylpyrazolo[3,4-d]pyrimidin-6-amine
CID 141189467
N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636373
4-(aminomethyl)-N-(2-methoxyethyl)pyrimidin-2-amine
CID 107541939
5-chloro-4-N-(2-methoxyethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80765635
N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-amine
CID 139606318
N-(2-cyclopentylpyrazolo[3,4-d]pyrimidin-6-yl)-N',N'-dimethylethane-1,2-diamine
CID 141189524
N-(2-methoxyethyl)-1-propan-2-ylimidazol-2-amine
CID 106554838
2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 83695203
3-methoxy-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]propan-1-amine;hydrochloride
CID 126966892

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of N-(2-methoxyethyl)-2-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-6-amine (CID 141189552) is N-(2-methoxyethyl)-2-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-6-amine is COCCNc1ncc2cn(CC(C)C)nc2n1.
What is the InChIKey of N-(2-methoxyethyl)-2-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is LFWCLUIZINQNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-9(2)7-17-8-10-6-14-12(13-4-5-18-3)15-11(10)16-17/h6,8-9H,4-5,7H2,1-3H3,(H,13,15,16).
What are the key properties of N-(2-methoxyethyl)-2-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-6-amine?
N-(2-methoxyethyl)-2-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 249.32 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 141189552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).