2-heptylpyrazolo[3,4-d]pyrimidin-4-amine

C12H19N5 — CID 11253284

IUPAC2-heptylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCCCCCn1cc2c(N)ncnc2n1
InChIInChI=1S/C12H19N5/c1-2-3-4-5-6-7-17-8-10-11(13)14-9-15-12(10)16-17/h8-9H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyZAXCNLRZRWVQML-UHFFFAOYSA-N
MW233.32 g/mol
LogP2.38
Rot. Bonds6

About 2-heptylpyrazolo[3,4-d]pyrimidin-4-amine

2-heptylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 11253284) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 2-heptylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-heptylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID11253284
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name2-heptylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCCCCCn1cc2c(N)ncnc2n1
InChIInChI=1S/C12H19N5/c1-2-3-4-5-6-7-17-8-10-11(13)14-9-15-12(10)16-17/h8-9H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyZAXCNLRZRWVQML-UHFFFAOYSA-N
XLogP2.38
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-heptylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-heptylpyrazolo[3,4-d]pyrimidin-4-amine (CID 11253284) is 2-heptylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-heptylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-heptylpyrazolo[3,4-d]pyrimidin-4-amine is CCCCCCCn1cc2c(N)ncnc2n1.
What is the InChIKey of 2-heptylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ZAXCNLRZRWVQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-2-3-4-5-6-7-17-8-10-11(13)14-9-15-12(10)16-17/h8-9H,2-7H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-heptylpyrazolo[3,4-d]pyrimidin-4-amine?
2-heptylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 233.32 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11253284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).