2-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine

C20H26N6O — CID 176905785

IUPAC2-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCOc1cc(C)cc(C)c1-n1cc2cnc(N[C@@H]3CCCN(C)C3)nc2n1
InChIInChI=1S/C20H26N6O/c1-13-8-14(2)18(17(9-13)27-4)26-11-15-10-21-20(23-19(15)24-26)22-16-6-5-7-25(3)12-16/h8-11,16H,5-7,12H2,1-4H3,(H,22,23,24)/t16-/m1/s1
InChIKeyPTLITSSIOMGJDL-MRXNPFEDSA-N
MW366.47 g/mol
LogP2.95
Rot. Bonds4

About 2-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine

2-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 176905785) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name2-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID176905785
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name2-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCOc1cc(C)cc(C)c1-n1cc2cnc(N[C@@H]3CCCN(C)C3)nc2n1
InChIInChI=1S/C20H26N6O/c1-13-8-14(2)18(17(9-13)27-4)26-11-15-10-21-20(23-19(15)24-26)22-16-6-5-7-25(3)12-16/h8-11,16H,5-7,12H2,1-4H3,(H,22,23,24)/t16-/m1/s1
InChIKeyPTLITSSIOMGJDL-MRXNPFEDSA-N
XLogP2.95
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine 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

2-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 176905820
6-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4-triazin-3-amine
CID 175867644
2-(4-chloro-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-b]pyridin-6-amine
CID 170743484
2-[2-methoxy-4-(trifluoromethyl)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-b]pyridin-6-amine
CID 170743427
ethane;5-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 143709690
6-(3-methoxy-4-pyridinyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 167137767
7-fluoro-6-(2-methoxy-4,6-dimethylphenyl)-3-(1-methylpiperidin-3-yl)pyrido[2,3-b]pyrazine
CID 171085518
2-(2-methoxy-4,6-dimethylphenyl)-7-(1-methylpiperidin-3-yl)-1,8-naphthyridine
CID 171085659
5-methoxy-3-methyl-2-[5-[(1-methylpyrrolidin-3-yl)amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]phenol
CID 170787755
7-chloro-5-(4-chloro-2-methoxy-6-methylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
CID 176905845
8,9-dimethoxy-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine
CID 166560820
5-chloro-3-methyl-2-[3-[(1-methylpiperidin-3-yl)amino]-1,2,4-triazin-6-yl]phenol
CID 170156002

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 2-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine (CID 176905785) is 2-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 2-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 2-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine is COc1cc(C)cc(C)c1-n1cc2cnc(N[C@@H]3CCCN(C)C3)nc2n1.
What is the InChIKey of 2-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is PTLITSSIOMGJDL-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N6O/c1-13-8-14(2)18(17(9-13)27-4)26-11-15-10-21-20(23-19(15)24-26)22-16-6-5-7-25(3)12-16/h8-11,16H,5-7,12H2,1-4H3,(H,22,23,24)/t16-/m1/s1.
What are the key properties of 2-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine?
2-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 366.47 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 176905785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).