4-N-(3-chloro-4-methoxyphenyl)-1-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine

C19H24ClN7O2 — CID 6624268

IUPAC4-N-(3-chloro-4-methoxyphenyl)-1-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2nc(NCCN3CCOCC3)nc3c2cnn3C)cc1Cl
InChIInChI=1S/C19H24ClN7O2/c1-26-18-14(12-22-26)17(23-13-3-4-16(28-2)15(20)11-13)24-19(25-18)21-5-6-27-7-9-29-10-8-27/h3-4,11-12H,5-10H2,1-2H3,(H2,21,23,24,25)
InChIKeyNVSSYFAFBYZZCX-UHFFFAOYSA-N
MW417.90 g/mol
LogP2.51
Rot. Bonds7

About 4-N-(3-chloro-4-methoxyphenyl)-1-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine

4-N-(3-chloro-4-methoxyphenyl)-1-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 6624268) has the molecular formula C19H24ClN7O2 and a molecular weight of 417.90 g/mol. Its IUPAC name is 4-N-(3-chloro-4-methoxyphenyl)-1-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-methoxyphenyl)-1-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID6624268
Molecular FormulaC19H24ClN7O2
Molecular Weight417.90 g/mol
Exact Mass417.17
IUPAC Name4-N-(3-chloro-4-methoxyphenyl)-1-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2nc(NCCN3CCOCC3)nc3c2cnn3C)cc1Cl
InChIInChI=1S/C19H24ClN7O2/c1-26-18-14(12-22-26)17(23-13-3-4-16(28-2)15(20)11-13)24-19(25-18)21-5-6-27-7-9-29-10-8-27/h3-4,11-12H,5-10H2,1-2H3,(H2,21,23,24,25)
InChIKeyNVSSYFAFBYZZCX-UHFFFAOYSA-N
XLogP2.51
TPSA89.36 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-methoxyphenyl)-1-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-chloro-4-methoxyphenyl)-1-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 6624268) is 4-N-(3-chloro-4-methoxyphenyl)-1-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-methoxyphenyl)-1-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-chloro-4-methoxyphenyl)-1-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine is COc1ccc(Nc2nc(NCCN3CCOCC3)nc3c2cnn3C)cc1Cl.
What is the InChIKey of 4-N-(3-chloro-4-methoxyphenyl)-1-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is NVSSYFAFBYZZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN7O2/c1-26-18-14(12-22-26)17(23-13-3-4-16(28-2)15(20)11-13)24-19(25-18)21-5-6-27-7-9-29-10-8-27/h3-4,11-12H,5-10H2,1-2H3,(H2,21,23,24,25).
What are the key properties of 4-N-(3-chloro-4-methoxyphenyl)-1-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
4-N-(3-chloro-4-methoxyphenyl)-1-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 417.90 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-methoxyphenyl)-1-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 6624268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).