5-[2-cyclopropyl-2-(ethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

C13H19N5O — CID 63912458

IUPAC5-[2-cyclopropyl-2-(ethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCCNC(Cn1cnc2c(cnn2C)c1=O)C1CC1
InChIInChI=1S/C13H19N5O/c1-3-14-11(9-4-5-9)7-18-8-15-12-10(13(18)19)6-16-17(12)2/h6,8-9,11,14H,3-5,7H2,1-2H3
InChIKeyGBGFECAUXTVOQA-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.52
Rot. Bonds5

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

5-[2-cyclopropyl-2-(ethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 63912458) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 5-[2-cyclopropyl-2-(ethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[2-cyclopropyl-2-(ethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID63912458
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name5-[2-cyclopropyl-2-(ethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCCNC(Cn1cnc2c(cnn2C)c1=O)C1CC1
InChIInChI=1S/C13H19N5O/c1-3-14-11(9-4-5-9)7-18-8-15-12-10(13(18)19)6-16-17(12)2/h6,8-9,11,14H,3-5,7H2,1-2H3
InChIKeyGBGFECAUXTVOQA-UHFFFAOYSA-N
XLogP0.52
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-cyclopropyl-2-(ethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[2-cyclopropyl-2-(ethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (CID 63912458) is 5-[2-cyclopropyl-2-(ethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[2-cyclopropyl-2-(ethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[2-cyclopropyl-2-(ethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is CCNC(Cn1cnc2c(cnn2C)c1=O)C1CC1.
What is the InChIKey of 5-[2-cyclopropyl-2-(ethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is GBGFECAUXTVOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-3-14-11(9-4-5-9)7-18-8-15-12-10(13(18)19)6-16-17(12)2/h6,8-9,11,14H,3-5,7H2,1-2H3.
What are the key properties of 5-[2-cyclopropyl-2-(ethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
5-[2-cyclopropyl-2-(ethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 261.33 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyclopropyl-2-(ethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 63912458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).