1-(4-chlorophenyl)-N,N-bis(2-methoxyethyl)pyrazolo[5,4-d]pyrimidin-4-amine

C17H20ClN5O2 — CID 3241906

IUPAC1-(4-chlorophenyl)-N,N-bis(2-methoxyethyl)pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCOCCN(CCOC)c1ncnc2c1cnn2-c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN5O2/c1-24-9-7-22(8-10-25-2)16-15-11-21-23(17(15)20-12-19-16)14-5-3-13(18)4-6-14/h3-6,11-12H,7-10H2,1-2H3
InChIKeyWEIOKHLIOSZENK-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.57
Rot. Bonds8

About 1-(4-chlorophenyl)-N,N-bis(2-methoxyethyl)pyrazolo[5,4-d]pyrimidin-4-amine

1-(4-chlorophenyl)-N,N-bis(2-methoxyethyl)pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 3241906) has the molecular formula C17H20ClN5O2 and a molecular weight of 361.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N,N-bis(2-methoxyethyl)pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N,N-bis(2-methoxyethyl)pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID3241906
Molecular FormulaC17H20ClN5O2
Molecular Weight361.83 g/mol
Exact Mass361.13
IUPAC Name1-(4-chlorophenyl)-N,N-bis(2-methoxyethyl)pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCOCCN(CCOC)c1ncnc2c1cnn2-c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN5O2/c1-24-9-7-22(8-10-25-2)16-15-11-21-23(17(15)20-12-19-16)14-5-3-13(18)4-6-14/h3-6,11-12H,7-10H2,1-2H3
InChIKeyWEIOKHLIOSZENK-UHFFFAOYSA-N
XLogP2.57
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(4-chlorophenyl)-N,N-bis(2-methoxyethyl)pyrazolo[5,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N,N-bis(2-methoxyethyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(4-chlorophenyl)-N,N-bis(2-methoxyethyl)pyrazolo[5,4-d]pyrimidin-4-amine (CID 3241906) is 1-(4-chlorophenyl)-N,N-bis(2-methoxyethyl)pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N,N-bis(2-methoxyethyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N,N-bis(2-methoxyethyl)pyrazolo[5,4-d]pyrimidin-4-amine is COCCN(CCOC)c1ncnc2c1cnn2-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N,N-bis(2-methoxyethyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is WEIOKHLIOSZENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O2/c1-24-9-7-22(8-10-25-2)16-15-11-21-23(17(15)20-12-19-16)14-5-3-13(18)4-6-14/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N,N-bis(2-methoxyethyl)pyrazolo[5,4-d]pyrimidin-4-amine?
1-(4-chlorophenyl)-N,N-bis(2-methoxyethyl)pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 361.83 g/mol, XLogP of 2.57, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N,N-bis(2-methoxyethyl)pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 3241906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).