1-hexan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C11H17N5 — CID 57350810

IUPAC1-hexan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCCC(C)n1ncc2c(N)ncnc21
InChIInChI=1S/C11H17N5/c1-3-4-5-8(2)16-11-9(6-15-16)10(12)13-7-14-11/h6-8H,3-5H2,1-2H3,(H2,12,13,14)
InChIKeyBVFULRFPWIGJLN-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.16
Rot. Bonds4

About 1-hexan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

1-hexan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 57350810) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-hexan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-hexan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID57350810
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name1-hexan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCCC(C)n1ncc2c(N)ncnc21
InChIInChI=1S/C11H17N5/c1-3-4-5-8(2)16-11-9(6-15-16)10(12)13-7-14-11/h6-8H,3-5H2,1-2H3,(H2,12,13,14)
InChIKeyBVFULRFPWIGJLN-UHFFFAOYSA-N
XLogP2.16
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
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-hexan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-hexan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 57350810) is 1-hexan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-hexan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-hexan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CCCCC(C)n1ncc2c(N)ncnc21.
What is the InChIKey of 1-hexan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is BVFULRFPWIGJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-3-4-5-8(2)16-11-9(6-15-16)10(12)13-7-14-11/h6-8H,3-5H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-hexan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
1-hexan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 219.29 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 57350810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).