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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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).