N-(2,2-diethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C12H19N5O2 — CID 7197189

IUPACN-(2,2-diethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOC(CNc1ncnc2c1cnn2C)OCC
InChIInChI=1S/C12H19N5O2/c1-4-18-10(19-5-2)7-13-11-9-6-16-17(3)12(9)15-8-14-11/h6,8,10H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyBFCDMIPMIHAUAR-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.17
Rot. Bonds7

About N-(2,2-diethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

N-(2,2-diethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 7197189) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID7197189
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN-(2,2-diethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOC(CNc1ncnc2c1cnn2C)OCC
InChIInChI=1S/C12H19N5O2/c1-4-18-10(19-5-2)7-13-11-9-6-16-17(3)12(9)15-8-14-11/h6,8,10H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyBFCDMIPMIHAUAR-UHFFFAOYSA-N
XLogP1.17
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(2,2-diethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 7197189) is N-(2,2-diethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,2-diethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,2-diethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is CCOC(CNc1ncnc2c1cnn2C)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is BFCDMIPMIHAUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-4-18-10(19-5-2)7-13-11-9-6-16-17(3)12(9)15-8-14-11/h6,8,10H,4-5,7H2,1-3H3,(H,13,14,15).
What are the key properties of N-(2,2-diethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(2,2-diethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 265.32 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 7197189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).