3-amino-6-propan-2-yl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one

C11H17N5O — CID 135702355

IUPAC3-amino-6-propan-2-yl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESCCCn1nc2nc(C(C)C)[nH]c(=O)c2c1N
InChIInChI=1S/C11H17N5O/c1-4-5-16-8(12)7-10(15-16)13-9(6(2)3)14-11(7)17/h6H,4-5,12H2,1-3H3,(H,13,14,15,17)
InChIKeyDZBQPQILIAESIR-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.24
Rot. Bonds3

About 3-amino-6-propan-2-yl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one

3-amino-6-propan-2-yl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 135702355) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-amino-6-propan-2-yl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-6-propan-2-yl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
PubChem CID135702355
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name3-amino-6-propan-2-yl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESCCCn1nc2nc(C(C)C)[nH]c(=O)c2c1N
InChIInChI=1S/C11H17N5O/c1-4-5-16-8(12)7-10(15-16)13-9(6(2)3)14-11(7)17/h6H,4-5,12H2,1-3H3,(H,13,14,15,17)
InChIKeyDZBQPQILIAESIR-UHFFFAOYSA-N
XLogP1.24
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-propan-2-yl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-amino-6-propan-2-yl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one (CID 135702355) is 3-amino-6-propan-2-yl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-amino-6-propan-2-yl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-amino-6-propan-2-yl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one is CCCn1nc2nc(C(C)C)[nH]c(=O)c2c1N.
What is the InChIKey of 3-amino-6-propan-2-yl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is DZBQPQILIAESIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-4-5-16-8(12)7-10(15-16)13-9(6(2)3)14-11(7)17/h6H,4-5,12H2,1-3H3,(H,13,14,15,17).
What are the key properties of 3-amino-6-propan-2-yl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one?
3-amino-6-propan-2-yl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 235.29 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-propan-2-yl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135702355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).