5-[2-(ethylamino)-3-methoxypropyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

C12H19N5O2 — CID 107506237

IUPAC5-[2-(ethylamino)-3-methoxypropyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCCNC(COC)Cn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C12H19N5O2/c1-4-13-9(7-19-3)6-17-8-14-11-10(12(17)18)5-15-16(11)2/h5,8-9,13H,4,6-7H2,1-3H3
InChIKeyGZCJDGMLMKZRAR-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.25
Rot. Bonds6

About 5-[2-(ethylamino)-3-methoxypropyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

5-[2-(ethylamino)-3-methoxypropyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 107506237) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-[2-(ethylamino)-3-methoxypropyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[2-(ethylamino)-3-methoxypropyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID107506237
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name5-[2-(ethylamino)-3-methoxypropyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCCNC(COC)Cn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C12H19N5O2/c1-4-13-9(7-19-3)6-17-8-14-11-10(12(17)18)5-15-16(11)2/h5,8-9,13H,4,6-7H2,1-3H3
InChIKeyGZCJDGMLMKZRAR-UHFFFAOYSA-N
XLogP-0.25
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(ethylamino)-3-methoxypropyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[2-(ethylamino)-3-methoxypropyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (CID 107506237) is 5-[2-(ethylamino)-3-methoxypropyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[2-(ethylamino)-3-methoxypropyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[2-(ethylamino)-3-methoxypropyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is CCNC(COC)Cn1cnc2c(cnn2C)c1=O.
What is the InChIKey of 5-[2-(ethylamino)-3-methoxypropyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is GZCJDGMLMKZRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-4-13-9(7-19-3)6-17-8-14-11-10(12(17)18)5-15-16(11)2/h5,8-9,13H,4,6-7H2,1-3H3.
What are the key properties of 5-[2-(ethylamino)-3-methoxypropyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
5-[2-(ethylamino)-3-methoxypropyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 265.32 g/mol, XLogP of -0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(ethylamino)-3-methoxypropyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 107506237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).