1,3,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[4,5-d]pyrimidin-7-amine

C17H28N6 — CID 39893229

IUPAC1,3,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCc1nc(NC2CC(C)(C)NC(C)(C)C2)c2c(n1)c(C)nn2C
InChIInChI=1S/C17H28N6/c1-10-13-14(23(7)21-10)15(19-11(2)18-13)20-12-8-16(3,4)22-17(5,6)9-12/h12,22H,8-9H2,1-7H3,(H,18,19,20)
InChIKeyIJWQPUYDVYRDGK-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.70
Rot. Bonds2

About 1,3,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[4,5-d]pyrimidin-7-amine

1,3,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 39893229) has the molecular formula C17H28N6 and a molecular weight of 316.45 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID39893229
Molecular FormulaC17H28N6
Molecular Weight316.45 g/mol
Exact Mass316.24
IUPAC Name1,3,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCc1nc(NC2CC(C)(C)NC(C)(C)C2)c2c(n1)c(C)nn2C
InChIInChI=1S/C17H28N6/c1-10-13-14(23(7)21-10)15(19-11(2)18-13)20-12-8-16(3,4)22-17(5,6)9-12/h12,22H,8-9H2,1-7H3,(H,18,19,20)
InChIKeyIJWQPUYDVYRDGK-UHFFFAOYSA-N
XLogP2.70
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 1,3,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[4,5-d]pyrimidin-7-amine (CID 39893229) is 1,3,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 1,3,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 1,3,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[4,5-d]pyrimidin-7-amine is Cc1nc(NC2CC(C)(C)NC(C)(C)C2)c2c(n1)c(C)nn2C.
What is the InChIKey of 1,3,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is IJWQPUYDVYRDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6/c1-10-13-14(23(7)21-10)15(19-11(2)18-13)20-12-8-16(3,4)22-17(5,6)9-12/h12,22H,8-9H2,1-7H3,(H,18,19,20).
What are the key properties of 1,3,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[4,5-d]pyrimidin-7-amine?
1,3,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 316.45 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 39893229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).