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

C10H15N5O2 — CID 7197187

IUPACN-(2,2-dimethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOC(CNc1ncnc2c1cnn2C)OC
InChIInChI=1S/C10H15N5O2/c1-15-10-7(4-14-15)9(12-6-13-10)11-5-8(16-2)17-3/h4,6,8H,5H2,1-3H3,(H,11,12,13)
InChIKeyYEXOWVHCXBQUOV-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.39
Rot. Bonds5

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

N-(2,2-dimethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 7197187) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID7197187
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC NameN-(2,2-dimethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOC(CNc1ncnc2c1cnn2C)OC
InChIInChI=1S/C10H15N5O2/c1-15-10-7(4-14-15)9(12-6-13-10)11-5-8(16-2)17-3/h4,6,8H,5H2,1-3H3,(H,11,12,13)
InChIKeyYEXOWVHCXBQUOV-UHFFFAOYSA-N
XLogP0.39
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.39
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-dimethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 7197187) is N-(2,2-dimethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is COC(CNc1ncnc2c1cnn2C)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is YEXOWVHCXBQUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-15-10-7(4-14-15)9(12-6-13-10)11-5-8(16-2)17-3/h4,6,8H,5H2,1-3H3,(H,11,12,13).
What are the key properties of N-(2,2-dimethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(2,2-dimethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 237.26 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 7197187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).