6-N-(2-amino-3-methoxypropyl)-4-N-[(3-chloro-4-methylphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine

C18H24ClN7O — CID 155413950

IUPAC6-N-(2-amino-3-methoxypropyl)-4-N-[(3-chloro-4-methylphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCOCC(N)CNc1nc(NCc2ccc(C)c(Cl)c2)c2cnn(C)c2n1
InChIInChI=1S/C18H24ClN7O/c1-11-4-5-12(6-15(11)19)7-21-16-14-9-23-26(2)17(14)25-18(24-16)22-8-13(20)10-27-3/h4-6,9,13H,7-8,10,20H2,1-3H3,(H2,21,22,24,25)
InChIKeyQLGMXQGFYBHPNT-UHFFFAOYSA-N
MW389.89 g/mol
LogP2.32
Rot. Bonds8

About 6-N-(2-amino-3-methoxypropyl)-4-N-[(3-chloro-4-methylphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine

6-N-(2-amino-3-methoxypropyl)-4-N-[(3-chloro-4-methylphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 155413950) has the molecular formula C18H24ClN7O and a molecular weight of 389.89 g/mol. Its IUPAC name is 6-N-(2-amino-3-methoxypropyl)-4-N-[(3-chloro-4-methylphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(2-amino-3-methoxypropyl)-4-N-[(3-chloro-4-methylphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID155413950
Molecular FormulaC18H24ClN7O
Molecular Weight389.89 g/mol
Exact Mass389.17
IUPAC Name6-N-(2-amino-3-methoxypropyl)-4-N-[(3-chloro-4-methylphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCOCC(N)CNc1nc(NCc2ccc(C)c(Cl)c2)c2cnn(C)c2n1
InChIInChI=1S/C18H24ClN7O/c1-11-4-5-12(6-15(11)19)7-21-16-14-9-23-26(2)17(14)25-18(24-16)22-8-13(20)10-27-3/h4-6,9,13H,7-8,10,20H2,1-3H3,(H2,21,22,24,25)
InChIKeyQLGMXQGFYBHPNT-UHFFFAOYSA-N
XLogP2.32
TPSA102.91 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-N-(2-amino-3-methoxypropyl)-4-N-[(3-chloro-4-methylphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine with MolForge

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

Launch Full Analysis

Related Compounds

6-N-[(2S)-1-aminobutan-2-yl]-4-N-[(3-chloro-4-methylphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 166036460
4-N-(3-chloro-4-methylphenyl)-6-N-(3-methoxypropyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 7216285
6-N-(2-aminoethyl)-4-N-(1-benzofuran-5-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 155414269
4-N-benzyl-1-methyl-6-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 7216335
4-N-[(2-chlorophenyl)methyl]-6-N-(3-methoxypropyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride
CID 146059584
4-N-[(4-methoxyphenyl)methyl]-6-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 50795340
2-[[1-methyl-4-[(3-methylphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol
CID 50795443
3-[[1-methyl-4-[(3-methylphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]amino]propan-1-ol
CID 46345420
6-N-(2-methoxyethyl)-1-methyl-4-N-propan-2-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 50795269
3-[[4-[(4-iodophenyl)methylamino]-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]propan-1-ol
CID 71030668
4-N-[2-(4-fluorophenyl)ethyl]-1-methyl-6-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 166397978
4-N-[(2,5-dimethoxyphenyl)methyl]-6-N-(3-methoxypropyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 50795281

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-amino-3-methoxypropyl)-4-N-[(3-chloro-4-methylphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(2-amino-3-methoxypropyl)-4-N-[(3-chloro-4-methylphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 155413950) is 6-N-(2-amino-3-methoxypropyl)-4-N-[(3-chloro-4-methylphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(2-amino-3-methoxypropyl)-4-N-[(3-chloro-4-methylphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(2-amino-3-methoxypropyl)-4-N-[(3-chloro-4-methylphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine is COCC(N)CNc1nc(NCc2ccc(C)c(Cl)c2)c2cnn(C)c2n1.
What is the InChIKey of 6-N-(2-amino-3-methoxypropyl)-4-N-[(3-chloro-4-methylphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is QLGMXQGFYBHPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN7O/c1-11-4-5-12(6-15(11)19)7-21-16-14-9-23-26(2)17(14)25-18(24-16)22-8-13(20)10-27-3/h4-6,9,13H,7-8,10,20H2,1-3H3,(H2,21,22,24,25).
What are the key properties of 6-N-(2-amino-3-methoxypropyl)-4-N-[(3-chloro-4-methylphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
6-N-(2-amino-3-methoxypropyl)-4-N-[(3-chloro-4-methylphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 389.89 g/mol, XLogP of 2.32, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-amino-3-methoxypropyl)-4-N-[(3-chloro-4-methylphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 155413950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).