1,3-dimethyl-6-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine

C12H19N5 — CID 70286761

IUPAC1,3-dimethyl-6-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCC(CC)c1nc(N)c2c(C)nn(C)c2n1
InChIInChI=1S/C12H19N5/c1-5-8(6-2)11-14-10(13)9-7(3)16-17(4)12(9)15-11/h8H,5-6H2,1-4H3,(H2,13,14,15)
InChIKeyAPWOMMUNKHTNBA-UHFFFAOYSA-N
MW233.32 g/mol
LogP2.16
Rot. Bonds3

About 1,3-dimethyl-6-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine

1,3-dimethyl-6-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 70286761) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 1,3-dimethyl-6-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-6-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID70286761
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name1,3-dimethyl-6-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCC(CC)c1nc(N)c2c(C)nn(C)c2n1
InChIInChI=1S/C12H19N5/c1-5-8(6-2)11-14-10(13)9-7(3)16-17(4)12(9)15-11/h8H,5-6H2,1-4H3,(H2,13,14,15)
InChIKeyAPWOMMUNKHTNBA-UHFFFAOYSA-N
XLogP2.16
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1,3-dimethyl-6-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 70286761) is 1,3-dimethyl-6-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1,3-dimethyl-6-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1,3-dimethyl-6-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine is CCC(CC)c1nc(N)c2c(C)nn(C)c2n1.
What is the InChIKey of 1,3-dimethyl-6-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is APWOMMUNKHTNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-5-8(6-2)11-14-10(13)9-7(3)16-17(4)12(9)15-11/h8H,5-6H2,1-4H3,(H2,13,14,15).
What are the key properties of 1,3-dimethyl-6-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
1,3-dimethyl-6-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 233.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70286761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).