5,7-dichloro-1-(2-ethoxyethyl)-3-methoxypyrazolo[4,5-d]pyrimidine

C10H12Cl2N4O2 — CID 174483205

IUPAC5,7-dichloro-1-(2-ethoxyethyl)-3-methoxypyrazolo[4,5-d]pyrimidine
SMILESCCOCCn1nc(OC)c2nc(Cl)nc(Cl)c21
InChIInChI=1S/C10H12Cl2N4O2/c1-3-18-5-4-16-7-6(9(15-16)17-2)13-10(12)14-8(7)11/h3-5H2,1-2H3
InChIKeyWJNIPNYPHMSKOM-UHFFFAOYSA-N
MW291.14 g/mol
LogP2.18
Rot. Bonds5

About 5,7-dichloro-1-(2-ethoxyethyl)-3-methoxypyrazolo[4,5-d]pyrimidine

5,7-dichloro-1-(2-ethoxyethyl)-3-methoxypyrazolo[4,5-d]pyrimidine (PubChem CID 174483205) has the molecular formula C10H12Cl2N4O2 and a molecular weight of 291.14 g/mol. Its IUPAC name is 5,7-dichloro-1-(2-ethoxyethyl)-3-methoxypyrazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-1-(2-ethoxyethyl)-3-methoxypyrazolo[4,5-d]pyrimidine
PubChem CID174483205
Molecular FormulaC10H12Cl2N4O2
Molecular Weight291.14 g/mol
Exact Mass290.03
IUPAC Name5,7-dichloro-1-(2-ethoxyethyl)-3-methoxypyrazolo[4,5-d]pyrimidine
SMILESCCOCCn1nc(OC)c2nc(Cl)nc(Cl)c21
InChIInChI=1S/C10H12Cl2N4O2/c1-3-18-5-4-16-7-6(9(15-16)17-2)13-10(12)14-8(7)11/h3-5H2,1-2H3
InChIKeyWJNIPNYPHMSKOM-UHFFFAOYSA-N
XLogP2.18
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 52.18
H-Bond Donors ≤ 50
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 5,7-dichloro-1-(2-ethoxyethyl)-3-methoxypyrazolo[4,5-d]pyrimidine?
The IUPAC name of 5,7-dichloro-1-(2-ethoxyethyl)-3-methoxypyrazolo[4,5-d]pyrimidine (CID 174483205) is 5,7-dichloro-1-(2-ethoxyethyl)-3-methoxypyrazolo[4,5-d]pyrimidine.
What is the SMILES notation for 5,7-dichloro-1-(2-ethoxyethyl)-3-methoxypyrazolo[4,5-d]pyrimidine?
The canonical SMILES for 5,7-dichloro-1-(2-ethoxyethyl)-3-methoxypyrazolo[4,5-d]pyrimidine is CCOCCn1nc(OC)c2nc(Cl)nc(Cl)c21.
What is the InChIKey of 5,7-dichloro-1-(2-ethoxyethyl)-3-methoxypyrazolo[4,5-d]pyrimidine?
The InChIKey is WJNIPNYPHMSKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N4O2/c1-3-18-5-4-16-7-6(9(15-16)17-2)13-10(12)14-8(7)11/h3-5H2,1-2H3.
What are the key properties of 5,7-dichloro-1-(2-ethoxyethyl)-3-methoxypyrazolo[4,5-d]pyrimidine?
5,7-dichloro-1-(2-ethoxyethyl)-3-methoxypyrazolo[4,5-d]pyrimidine has a molecular weight of 291.14 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-1-(2-ethoxyethyl)-3-methoxypyrazolo[4,5-d]pyrimidine is sourced from PubChem (CID 174483205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).