4-N-(4-chlorophenyl)-6-N-[2-(diethylamino)ethyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine

C18H24ClN7 — CID 50795161

IUPAC4-N-(4-chlorophenyl)-6-N-[2-(diethylamino)ethyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCCN(CC)CCNc1nc(Nc2ccc(Cl)cc2)c2cnn(C)c2n1
InChIInChI=1S/C18H24ClN7/c1-4-26(5-2)11-10-20-18-23-16(15-12-21-25(3)17(15)24-18)22-14-8-6-13(19)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H2,20,22,23,24)
InChIKeyCSENLIPYUKGDGE-UHFFFAOYSA-N
MW373.89 g/mol
LogP3.51
Rot. Bonds8

About 4-N-(4-chlorophenyl)-6-N-[2-(diethylamino)ethyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine

4-N-(4-chlorophenyl)-6-N-[2-(diethylamino)ethyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 50795161) has the molecular formula C18H24ClN7 and a molecular weight of 373.89 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-6-N-[2-(diethylamino)ethyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-6-N-[2-(diethylamino)ethyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID50795161
Molecular FormulaC18H24ClN7
Molecular Weight373.89 g/mol
Exact Mass373.18
IUPAC Name4-N-(4-chlorophenyl)-6-N-[2-(diethylamino)ethyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCCN(CC)CCNc1nc(Nc2ccc(Cl)cc2)c2cnn(C)c2n1
InChIInChI=1S/C18H24ClN7/c1-4-26(5-2)11-10-20-18-23-16(15-12-21-25(3)17(15)24-18)22-14-8-6-13(19)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H2,20,22,23,24)
InChIKeyCSENLIPYUKGDGE-UHFFFAOYSA-N
XLogP3.51
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-6-N-[2-(diethylamino)ethyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-chlorophenyl)-6-N-[2-(diethylamino)ethyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 50795161) is 4-N-(4-chlorophenyl)-6-N-[2-(diethylamino)ethyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-chlorophenyl)-6-N-[2-(diethylamino)ethyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-chlorophenyl)-6-N-[2-(diethylamino)ethyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine is CCN(CC)CCNc1nc(Nc2ccc(Cl)cc2)c2cnn(C)c2n1.
What is the InChIKey of 4-N-(4-chlorophenyl)-6-N-[2-(diethylamino)ethyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is CSENLIPYUKGDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN7/c1-4-26(5-2)11-10-20-18-23-16(15-12-21-25(3)17(15)24-18)22-14-8-6-13(19)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H2,20,22,23,24).
What are the key properties of 4-N-(4-chlorophenyl)-6-N-[2-(diethylamino)ethyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
4-N-(4-chlorophenyl)-6-N-[2-(diethylamino)ethyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 373.89 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chlorophenyl)-6-N-[2-(diethylamino)ethyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 50795161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).