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

C10H15N5 — CID 63022431

IUPAC1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCC(CC)n1ncc2c(N)ncnc21
InChIInChI=1S/C10H15N5/c1-3-7(4-2)15-10-8(5-14-15)9(11)12-6-13-10/h5-7H,3-4H2,1-2H3,(H2,11,12,13)
InChIKeyHDGDMJPFTHOHNT-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.77
Rot. Bonds3

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

1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 63022431) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID63022431
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCC(CC)n1ncc2c(N)ncnc21
InChIInChI=1S/C10H15N5/c1-3-7(4-2)15-10-8(5-14-15)9(11)12-6-13-10/h5-7H,3-4H2,1-2H3,(H2,11,12,13)
InChIKeyHDGDMJPFTHOHNT-UHFFFAOYSA-N
XLogP1.77
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 63022431) is 1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine is CCC(CC)n1ncc2c(N)ncnc21.
What is the InChIKey of 1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is HDGDMJPFTHOHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-3-7(4-2)15-10-8(5-14-15)9(11)12-6-13-10/h5-7H,3-4H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 205.26 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 63022431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).