1-tert-butyl-6-methyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C20H22N6 — CID 75384081

IUPAC1-tert-butyl-6-methyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(NCc2ccnc3ccccc23)c2cnn(C(C)(C)C)c2n1
InChIInChI=1S/C20H22N6/c1-13-24-18(16-12-23-26(19(16)25-13)20(2,3)4)22-11-14-9-10-21-17-8-6-5-7-15(14)17/h5-10,12H,11H2,1-4H3,(H,22,24,25)
InChIKeyILPWULCBDMWEEV-UHFFFAOYSA-N
MW346.44 g/mol
LogP4.05
Rot. Bonds3

About 1-tert-butyl-6-methyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-tert-butyl-6-methyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 75384081) has the molecular formula C20H22N6 and a molecular weight of 346.44 g/mol. Its IUPAC name is 1-tert-butyl-6-methyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-6-methyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID75384081
Molecular FormulaC20H22N6
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC Name1-tert-butyl-6-methyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(NCc2ccnc3ccccc23)c2cnn(C(C)(C)C)c2n1
InChIInChI=1S/C20H22N6/c1-13-24-18(16-12-23-26(19(16)25-13)20(2,3)4)22-11-14-9-10-21-17-8-6-5-7-15(14)17/h5-10,12H,11H2,1-4H3,(H,22,24,25)
InChIKeyILPWULCBDMWEEV-UHFFFAOYSA-N
XLogP4.05
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-tert-butyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 75470437
1,6-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 166185839
N-(quinolin-4-ylmethyl)aniline
CID 57199115
N-[(1,5-dimethylpyrazol-4-yl)methyl]quinolin-4-amine
CID 103858286
3-methyl-2-phenyl-8-(quinolin-4-ylmethylamino)-2,7-naphthyridin-1-one
CID 90468576
4-methoxy-N-(quinolin-4-ylmethyl)aniline
CID 63850882
2-methyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine chloride
CID 53346777
2-methyl-2-(quinolin-4-ylmethylamino)propan-1-ol
CID 63868080
2,5-dimethyl-N-(quinolin-4-ylmethyl)aniline
CID 63867018
N-ethyl-6-methyl-1-(4-methyl-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 80725841
N-[(2-ethoxyphenyl)methyl]-2-methylquinazolin-4-amine
CID 68649031
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-methyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-tert-butyl-6-methyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 75384081) is 1-tert-butyl-6-methyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-tert-butyl-6-methyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-tert-butyl-6-methyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cc1nc(NCc2ccnc3ccccc23)c2cnn(C(C)(C)C)c2n1.
What is the InChIKey of 1-tert-butyl-6-methyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ILPWULCBDMWEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6/c1-13-24-18(16-12-23-26(19(16)25-13)20(2,3)4)22-11-14-9-10-21-17-8-6-5-7-15(14)17/h5-10,12H,11H2,1-4H3,(H,22,24,25).
What are the key properties of 1-tert-butyl-6-methyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-tert-butyl-6-methyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 346.44 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-methyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 75384081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).