1-tert-butyl-N-[3-methoxy-4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine

C18H23N5O2 — CID 167951902

IUPAC1-tert-butyl-N-[3-methoxy-4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOCc1ccc(Nc2ncnc3c2cnn3C(C)(C)C)cc1OC
InChIInChI=1S/C18H23N5O2/c1-18(2,3)23-17-14(9-21-23)16(19-11-20-17)22-13-7-6-12(10-24-4)15(8-13)25-5/h6-9,11H,10H2,1-5H3,(H,19,20,22)
InChIKeyJXERUAHIAXXFNA-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.48
Rot. Bonds5

About 1-tert-butyl-N-[3-methoxy-4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine

1-tert-butyl-N-[3-methoxy-4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 167951902) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-tert-butyl-N-[3-methoxy-4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N-[3-methoxy-4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID167951902
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-tert-butyl-N-[3-methoxy-4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOCc1ccc(Nc2ncnc3c2cnn3C(C)(C)C)cc1OC
InChIInChI=1S/C18H23N5O2/c1-18(2,3)23-17-14(9-21-23)16(19-11-20-17)22-13-7-6-12(10-24-4)15(8-13)25-5/h6-9,11H,10H2,1-5H3,(H,19,20,22)
InChIKeyJXERUAHIAXXFNA-UHFFFAOYSA-N
XLogP3.48
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-tert-butyl-N-[3-methoxy-4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

methyl 3-[4-[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-methylpropanoate
CID 133466614
N-(3,4-dimethylphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 7188731
N-(3-chloro-4-methoxyphenyl)-1-(3-chloro-4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 41476106
1-ethyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 1107332
1-(3,4-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 171351890
1-tert-butyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 75470437
1-(3-fluorophenyl)-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110434963
1-(4-methoxyphenyl)-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 661214
1-tert-butyl-N-[2-(1H-pyrazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 138008326
N-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 1069938
4-N-[4-fluoro-3-(iodomethyl)phenyl]-7-methoxyquinazoline-4,6-diamine
CID 129137091
1-(3-chloro-4-methylphenyl)-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017510

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[3-methoxy-4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-tert-butyl-N-[3-methoxy-4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 167951902) is 1-tert-butyl-N-[3-methoxy-4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-tert-butyl-N-[3-methoxy-4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-tert-butyl-N-[3-methoxy-4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine is COCc1ccc(Nc2ncnc3c2cnn3C(C)(C)C)cc1OC.
What is the InChIKey of 1-tert-butyl-N-[3-methoxy-4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is JXERUAHIAXXFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-18(2,3)23-17-14(9-21-23)16(19-11-20-17)22-13-7-6-12(10-24-4)15(8-13)25-5/h6-9,11H,10H2,1-5H3,(H,19,20,22).
What are the key properties of 1-tert-butyl-N-[3-methoxy-4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-tert-butyl-N-[3-methoxy-4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 341.42 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[3-methoxy-4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 167951902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).