4-(2-ethoxyethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one

C10H15N3O2 — CID 3447837

IUPAC4-(2-ethoxyethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
SMILESCCOCCc1[nH]c(=O)nc2c1CCN2
InChIInChI=1S/C10H15N3O2/c1-2-15-6-4-8-7-3-5-11-9(7)13-10(14)12-8/h2-6H2,1H3,(H2,11,12,13,14)
InChIKeyMPIFFLGJALZCGO-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.32
Rot. Bonds4

About 4-(2-ethoxyethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one

4-(2-ethoxyethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one (PubChem CID 3447837) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(2-ethoxyethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(2-ethoxyethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
PubChem CID3447837
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-(2-ethoxyethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
SMILESCCOCCc1[nH]c(=O)nc2c1CCN2
InChIInChI=1S/C10H15N3O2/c1-2-15-6-4-8-7-3-5-11-9(7)13-10(14)12-8/h2-6H2,1H3,(H2,11,12,13,14)
InChIKeyMPIFFLGJALZCGO-UHFFFAOYSA-N
XLogP0.32
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-(2-ethoxyethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one (CID 3447837) is 4-(2-ethoxyethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-(2-ethoxyethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-(2-ethoxyethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one is CCOCCc1[nH]c(=O)nc2c1CCN2.
What is the InChIKey of 4-(2-ethoxyethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The InChIKey is MPIFFLGJALZCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-2-15-6-4-8-7-3-5-11-9(7)13-10(14)12-8/h2-6H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-(2-ethoxyethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
4-(2-ethoxyethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one has a molecular weight of 209.25 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 3447837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).