N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C17H28N6O — CID 25466411

IUPACN-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCC(CC)[C@H](CNc1ncnc2c1cnn2C)N1CCOCC1
InChIInChI=1S/C17H28N6O/c1-4-13(5-2)15(23-6-8-24-9-7-23)11-18-16-14-10-21-22(3)17(14)20-12-19-16/h10,12-13,15H,4-9,11H2,1-3H3,(H,18,19,20)/t15-/m0/s1
InChIKeyXCYZEHQSQPJWIH-HNNXBMFYSA-N
MW332.45 g/mol
LogP1.91
Rot. Bonds7

About N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 25466411) has the molecular formula C17H28N6O and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID25466411
Molecular FormulaC17H28N6O
Molecular Weight332.45 g/mol
Exact Mass332.23
IUPAC NameN-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCC(CC)[C@H](CNc1ncnc2c1cnn2C)N1CCOCC1
InChIInChI=1S/C17H28N6O/c1-4-13(5-2)15(23-6-8-24-9-7-23)11-18-16-14-10-21-22(3)17(14)20-12-19-16/h10,12-13,15H,4-9,11H2,1-3H3,(H,18,19,20)/t15-/m0/s1
InChIKeyXCYZEHQSQPJWIH-HNNXBMFYSA-N
XLogP1.91
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 25466411) is N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is CCC(CC)[C@H](CNc1ncnc2c1cnn2C)N1CCOCC1.
What is the InChIKey of N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is XCYZEHQSQPJWIH-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H28N6O/c1-4-13(5-2)15(23-6-8-24-9-7-23)11-18-16-14-10-21-22(3)17(14)20-12-19-16/h10,12-13,15H,4-9,11H2,1-3H3,(H,18,19,20)/t15-/m0/s1.
What are the key properties of N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 332.45 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 25466411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).