N-(2-chloroethyl)-N-(2-methoxyethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-amine

C11H16ClN5O — CID 113468185

IUPACN-(2-chloroethyl)-N-(2-methoxyethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCOCCN(CCCl)c1ncnc2c1cnn2C
InChIInChI=1S/C11H16ClN5O/c1-16-10-9(7-15-16)11(14-8-13-10)17(4-3-12)5-6-18-2/h7-8H,3-6H2,1-2H3
InChIKeyHKTDORZJYQZHOK-UHFFFAOYSA-N
MW269.74 g/mol
LogP1.05
Rot. Bonds6

About N-(2-chloroethyl)-N-(2-methoxyethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-amine

N-(2-chloroethyl)-N-(2-methoxyethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 113468185) has the molecular formula C11H16ClN5O and a molecular weight of 269.74 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2-methoxyethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2-methoxyethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID113468185
Molecular FormulaC11H16ClN5O
Molecular Weight269.74 g/mol
Exact Mass269.10
IUPAC NameN-(2-chloroethyl)-N-(2-methoxyethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCOCCN(CCCl)c1ncnc2c1cnn2C
InChIInChI=1S/C11H16ClN5O/c1-16-10-9(7-15-16)11(14-8-13-10)17(4-3-12)5-6-18-2/h7-8H,3-6H2,1-2H3
InChIKeyHKTDORZJYQZHOK-UHFFFAOYSA-N
XLogP1.05
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(2-methoxyethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(2-chloroethyl)-N-(2-methoxyethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-amine (CID 113468185) is N-(2-chloroethyl)-N-(2-methoxyethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-(2-methoxyethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-chloroethyl)-N-(2-methoxyethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-amine is COCCN(CCCl)c1ncnc2c1cnn2C.
What is the InChIKey of N-(2-chloroethyl)-N-(2-methoxyethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is HKTDORZJYQZHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5O/c1-16-10-9(7-15-16)11(14-8-13-10)17(4-3-12)5-6-18-2/h7-8H,3-6H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-(2-methoxyethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-amine?
N-(2-chloroethyl)-N-(2-methoxyethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 269.74 g/mol, XLogP of 1.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2-methoxyethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 113468185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).