methyl 4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboximidate

C10H14N6O3 — CID 14809279

IUPACmethyl 4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboximidate
SMILES[H]/N=C(\OC)c1nn(COCCO)c2ncnc(N)c12
InChIInChI=1S/C10H14N6O3/c1-18-9(12)7-6-8(11)13-4-14-10(6)16(15-7)5-19-3-2-17/h4,12,17H,2-3,5H2,1H3,(H2,11,13,14)/b12-9-
InChIKeyUYKHMMXEFQHDPS-XFXZXTDPSA-N
MW266.26 g/mol
LogP-0.65
Rot. Bonds5

About methyl 4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboximidate

methyl 4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboximidate (PubChem CID 14809279) has the molecular formula C10H14N6O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is methyl 4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboximidate.

Molecular Properties

Compound Namemethyl 4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboximidate
PubChem CID14809279
Molecular FormulaC10H14N6O3
Molecular Weight266.26 g/mol
Exact Mass266.11
IUPAC Namemethyl 4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboximidate
SMILES[H]/N=C(\OC)c1nn(COCCO)c2ncnc(N)c12
InChIInChI=1S/C10H14N6O3/c1-18-9(12)7-6-8(11)13-4-14-10(6)16(15-7)5-19-3-2-17/h4,12,17H,2-3,5H2,1H3,(H2,11,13,14)/b12-9-
InChIKeyUYKHMMXEFQHDPS-XFXZXTDPSA-N
XLogP-0.65
TPSA132.16 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboximidate?
The IUPAC name of methyl 4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboximidate (CID 14809279) is methyl 4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboximidate.
What is the SMILES notation for methyl 4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboximidate?
The canonical SMILES for methyl 4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboximidate is [H]/N=C(\OC)c1nn(COCCO)c2ncnc(N)c12.
What is the InChIKey of methyl 4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboximidate?
The InChIKey is UYKHMMXEFQHDPS-XFXZXTDPSA-N. The full InChI is InChI=1S/C10H14N6O3/c1-18-9(12)7-6-8(11)13-4-14-10(6)16(15-7)5-19-3-2-17/h4,12,17H,2-3,5H2,1H3,(H2,11,13,14)/b12-9-.
What are the key properties of methyl 4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboximidate?
methyl 4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboximidate has a molecular weight of 266.26 g/mol, XLogP of -0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboximidate is sourced from PubChem (CID 14809279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).