6-(1-phenylethylamino)-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C16H19N5O — CID 136969896

IUPAC6-(1-phenylethylamino)-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(Nc1nc2c(cnn2C(C)C)c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C16H19N5O/c1-10(2)21-14-13(9-17-21)15(22)20-16(19-14)18-11(3)12-7-5-4-6-8-12/h4-11H,1-3H3,(H2,18,19,20,22)
InChIKeyHAMPVBQNJQHDKX-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.87
Rot. Bonds4

About 6-(1-phenylethylamino)-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-(1-phenylethylamino)-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136969896) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 6-(1-phenylethylamino)-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(1-phenylethylamino)-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136969896
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name6-(1-phenylethylamino)-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(Nc1nc2c(cnn2C(C)C)c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C16H19N5O/c1-10(2)21-14-13(9-17-21)15(22)20-16(19-14)18-11(3)12-7-5-4-6-8-12/h4-11H,1-3H3,(H2,18,19,20,22)
InChIKeyHAMPVBQNJQHDKX-UHFFFAOYSA-N
XLogP2.87
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-phenylethylamino)-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(1-phenylethylamino)-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 136969896) is 6-(1-phenylethylamino)-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(1-phenylethylamino)-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(1-phenylethylamino)-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(Nc1nc2c(cnn2C(C)C)c(=O)[nH]1)c1ccccc1.
What is the InChIKey of 6-(1-phenylethylamino)-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is HAMPVBQNJQHDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-10(2)21-14-13(9-17-21)15(22)20-16(19-14)18-11(3)12-7-5-4-6-8-12/h4-11H,1-3H3,(H2,18,19,20,22).
What are the key properties of 6-(1-phenylethylamino)-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-(1-phenylethylamino)-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 297.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-phenylethylamino)-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136969896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).