4-(3-methoxyphenyl)-2-(4-methoxyphenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-3-amine

C20H19N5O2S — CID 42807541

IUPAC4-(3-methoxyphenyl)-2-(4-methoxyphenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-3-amine
SMILESCOc1ccc(-n2nc3nc(SC)nc(-c4cccc(OC)c4)c3c2N)cc1
InChIInChI=1S/C20H19N5O2S/c1-26-14-9-7-13(8-10-14)25-18(21)16-17(12-5-4-6-15(11-12)27-2)22-20(28-3)23-19(16)24-25/h4-11H,21H2,1-3H3
InChIKeyZDWRYRQGXJSTGP-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.80
Rot. Bonds5

About 4-(3-methoxyphenyl)-2-(4-methoxyphenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-3-amine

4-(3-methoxyphenyl)-2-(4-methoxyphenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-3-amine (PubChem CID 42807541) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-2-(4-methoxyphenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-3-amine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-2-(4-methoxyphenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-3-amine
PubChem CID42807541
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC Name4-(3-methoxyphenyl)-2-(4-methoxyphenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-3-amine
SMILESCOc1ccc(-n2nc3nc(SC)nc(-c4cccc(OC)c4)c3c2N)cc1
InChIInChI=1S/C20H19N5O2S/c1-26-14-9-7-13(8-10-14)25-18(21)16-17(12-5-4-6-15(11-12)27-2)22-20(28-3)23-19(16)24-25/h4-11H,21H2,1-3H3
InChIKeyZDWRYRQGXJSTGP-UHFFFAOYSA-N
XLogP3.80
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(3-methoxyphenyl)-6-methylsulfanyl-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42807540
4-(3-methoxyphenyl)-2-(4-methoxyphenyl)-6-N-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668968
4-(3-methoxyphenyl)-2-(4-methoxyphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 93297649
4-(3-fluorophenyl)-2-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42668828
4-(3-chlorophenyl)-2-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42668645
1-[4-[3-amino-2-(3-fluorophenyl)-4-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanone
CID 42668993
6-N-benzyl-2-(4-methoxyphenyl)-6-N-methyl-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42667675
4-(3-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668955
4-(3-chlorophenyl)-2-(4-methoxyphenyl)-6-N-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668636
4-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42667913
5-(3-methoxyphenyl)-3-phenyltriazol-4-amine
CID 14612161
6-N-[2-(dimethylamino)ethyl]-2,4-bis(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42667574

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-2-(4-methoxyphenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-3-amine?
The IUPAC name of 4-(3-methoxyphenyl)-2-(4-methoxyphenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-3-amine (CID 42807541) is 4-(3-methoxyphenyl)-2-(4-methoxyphenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-3-amine.
What is the SMILES notation for 4-(3-methoxyphenyl)-2-(4-methoxyphenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-3-amine?
The canonical SMILES for 4-(3-methoxyphenyl)-2-(4-methoxyphenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-3-amine is COc1ccc(-n2nc3nc(SC)nc(-c4cccc(OC)c4)c3c2N)cc1.
What is the InChIKey of 4-(3-methoxyphenyl)-2-(4-methoxyphenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-3-amine?
The InChIKey is ZDWRYRQGXJSTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c1-26-14-9-7-13(8-10-14)25-18(21)16-17(12-5-4-6-15(11-12)27-2)22-20(28-3)23-19(16)24-25/h4-11H,21H2,1-3H3.
What are the key properties of 4-(3-methoxyphenyl)-2-(4-methoxyphenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-3-amine?
4-(3-methoxyphenyl)-2-(4-methoxyphenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-3-amine has a molecular weight of 393.47 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-2-(4-methoxyphenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-3-amine is sourced from PubChem (CID 42807541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).