N-ethyl-1-methyl-6-(propoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C12H19N5O — CID 63221381

IUPACN-ethyl-1-methyl-6-(propoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCOCc1nc(NCC)c2cnn(C)c2n1
InChIInChI=1S/C12H19N5O/c1-4-6-18-8-10-15-11(13-5-2)9-7-14-17(3)12(9)16-10/h7H,4-6,8H2,1-3H3,(H,13,15,16)
InChIKeyBRUIGQKGFUNPTP-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.72
Rot. Bonds6

About N-ethyl-1-methyl-6-(propoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine

N-ethyl-1-methyl-6-(propoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 63221381) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-ethyl-1-methyl-6-(propoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-methyl-6-(propoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID63221381
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-ethyl-1-methyl-6-(propoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCOCc1nc(NCC)c2cnn(C)c2n1
InChIInChI=1S/C12H19N5O/c1-4-6-18-8-10-15-11(13-5-2)9-7-14-17(3)12(9)16-10/h7H,4-6,8H2,1-3H3,(H,13,15,16)
InChIKeyBRUIGQKGFUNPTP-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-6-(propoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-1-methyl-6-(propoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 63221381) is N-ethyl-1-methyl-6-(propoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-1-methyl-6-(propoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-1-methyl-6-(propoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine is CCCOCc1nc(NCC)c2cnn(C)c2n1.
What is the InChIKey of N-ethyl-1-methyl-6-(propoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is BRUIGQKGFUNPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-4-6-18-8-10-15-11(13-5-2)9-7-14-17(3)12(9)16-10/h7H,4-6,8H2,1-3H3,(H,13,15,16).
What are the key properties of N-ethyl-1-methyl-6-(propoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
N-ethyl-1-methyl-6-(propoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 249.32 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-6-(propoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 63221381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).