7-ethyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

C8H9N3O — CID 136602297

IUPAC7-ethyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESCCc1c[nH]c2c(=O)[nH]cnc12
InChIInChI=1S/C8H9N3O/c1-2-5-3-9-7-6(5)10-4-11-8(7)12/h3-4,9H,2H2,1H3,(H,10,11,12)
InChIKeyUOKHZRROMXEWQG-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.81
Rot. Bonds1

About 7-ethyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

7-ethyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 136602297) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 7-ethyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-ethyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID136602297
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name7-ethyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESCCc1c[nH]c2c(=O)[nH]cnc12
InChIInChI=1S/C8H9N3O/c1-2-5-3-9-7-6(5)10-4-11-8(7)12/h3-4,9H,2H2,1H3,(H,10,11,12)
InChIKeyUOKHZRROMXEWQG-UHFFFAOYSA-N
XLogP0.81
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-ethyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 136602297) is 7-ethyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-ethyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-ethyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is CCc1c[nH]c2c(=O)[nH]cnc12.
What is the InChIKey of 7-ethyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is UOKHZRROMXEWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-2-5-3-9-7-6(5)10-4-11-8(7)12/h3-4,9H,2H2,1H3,(H,10,11,12).
What are the key properties of 7-ethyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
7-ethyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 163.18 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 136602297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).