6-tert-butyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C17H25N7O — CID 56894827

IUPAC6-tert-butyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOCC(Nc1nc(C(C)(C)C)nc2c1cnn2C)c1ccnn1C
InChIInChI=1S/C17H25N7O/c1-17(2,3)16-21-14(11-9-19-24(5)15(11)22-16)20-12(10-25-6)13-7-8-18-23(13)4/h7-9,12H,10H2,1-6H3,(H,20,21,22)
InChIKeyLWNBPJMYWYXRGZ-UHFFFAOYSA-N
MW343.44 g/mol
LogP2.19
Rot. Bonds5

About 6-tert-butyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

6-tert-butyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56894827) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is 6-tert-butyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56894827
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC Name6-tert-butyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOCC(Nc1nc(C(C)(C)C)nc2c1cnn2C)c1ccnn1C
InChIInChI=1S/C17H25N7O/c1-17(2,3)16-21-14(11-9-19-24(5)15(11)22-16)20-12(10-25-6)13-7-8-18-23(13)4/h7-9,12H,10H2,1-6H3,(H,20,21,22)
InChIKeyLWNBPJMYWYXRGZ-UHFFFAOYSA-N
XLogP2.19
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95721786
(1S)-N-(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 95728731
6-tert-butyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56899150
6-tert-butyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56886002
6-tert-butyl-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95726265
1-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95707102
6-tert-butyl-1-methyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 56902389
(2R)-1-[(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
CID 95723879
6-N-(2-methoxyethyl)-1-methyl-4-N-propan-2-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 50795269
2-[(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 56885919
N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,4-dithiepan-6-amine
CID 95189955
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,4-dithiepan-6-amine
CID 95189956

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 56894827) is 6-tert-butyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is COCC(Nc1nc(C(C)(C)C)nc2c1cnn2C)c1ccnn1C.
What is the InChIKey of 6-tert-butyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is LWNBPJMYWYXRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O/c1-17(2,3)16-21-14(11-9-19-24(5)15(11)22-16)20-12(10-25-6)13-7-8-18-23(13)4/h7-9,12H,10H2,1-6H3,(H,20,21,22).
What are the key properties of 6-tert-butyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
6-tert-butyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 343.44 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56894827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).