4-N-(3-chlorophenyl)-1-methyl-6-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine

C19H24ClN7O — CID 20959289

IUPAC4-N-(3-chlorophenyl)-1-methyl-6-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCn1ncc2c(Nc3cccc(Cl)c3)nc(NCCCN3CCOCC3)nc21
InChIInChI=1S/C19H24ClN7O/c1-26-18-16(13-22-26)17(23-15-5-2-4-14(20)12-15)24-19(25-18)21-6-3-7-27-8-10-28-11-9-27/h2,4-5,12-13H,3,6-11H2,1H3,(H2,21,23,24,25)
InChIKeyJISDOJXWRHGKHM-UHFFFAOYSA-N
MW401.90 g/mol
LogP2.89
Rot. Bonds7

About 4-N-(3-chlorophenyl)-1-methyl-6-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine

4-N-(3-chlorophenyl)-1-methyl-6-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 20959289) has the molecular formula C19H24ClN7O and a molecular weight of 401.90 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-1-methyl-6-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-1-methyl-6-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID20959289
Molecular FormulaC19H24ClN7O
Molecular Weight401.90 g/mol
Exact Mass401.17
IUPAC Name4-N-(3-chlorophenyl)-1-methyl-6-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCn1ncc2c(Nc3cccc(Cl)c3)nc(NCCCN3CCOCC3)nc21
InChIInChI=1S/C19H24ClN7O/c1-26-18-16(13-22-26)17(23-15-5-2-4-14(20)12-15)24-19(25-18)21-6-3-7-27-8-10-28-11-9-27/h2,4-5,12-13H,3,6-11H2,1H3,(H2,21,23,24,25)
InChIKeyJISDOJXWRHGKHM-UHFFFAOYSA-N
XLogP2.89
TPSA80.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-N-(4-methylphenyl)-6-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 50795124
4-N-(3-chlorophenyl)-6-N-(4-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 8545698
1-methyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrazolo[5,4-d]pyrimidin-6-amine
CID 46345391
2-[[6-(3-chloroanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
CID 7216354
1-methyl-4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylpropyl)pyrazolo[5,4-d]pyrimidin-6-amine
CID 50795405
4-N-(3-chloro-4-methylphenyl)-6-N-(3-methoxypropyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 7216285
4-N-(3-chlorophenyl)-6-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-4,6-diamine
CID 22526205
6-N-(2-methoxyethyl)-4-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 50758354
6-chloro-1-methyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 58345954
1-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 22590085
6-N-(3-chlorophenyl)-4-N-(2,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 7162513
N-[4-[(3-chlorophenyl)methylamino]-6-(3-morpholin-4-ylpropylamino)-1,3,5-triazin-2-yl]hydroxylamine
CID 134108440

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-1-methyl-6-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-chlorophenyl)-1-methyl-6-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 20959289) is 4-N-(3-chlorophenyl)-1-methyl-6-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-chlorophenyl)-1-methyl-6-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-chlorophenyl)-1-methyl-6-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine is Cn1ncc2c(Nc3cccc(Cl)c3)nc(NCCCN3CCOCC3)nc21.
What is the InChIKey of 4-N-(3-chlorophenyl)-1-methyl-6-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is JISDOJXWRHGKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN7O/c1-26-18-16(13-22-26)17(23-15-5-2-4-14(20)12-15)24-19(25-18)21-6-3-7-27-8-10-28-11-9-27/h2,4-5,12-13H,3,6-11H2,1H3,(H2,21,23,24,25).
What are the key properties of 4-N-(3-chlorophenyl)-1-methyl-6-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
4-N-(3-chlorophenyl)-1-methyl-6-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 401.90 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-1-methyl-6-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 20959289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).