4-ethyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one

C8H11N3O — CID 3303938

IUPAC4-ethyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
SMILESCCc1[nH]c(=O)nc2c1CCN2
InChIInChI=1S/C8H11N3O/c1-2-6-5-3-4-9-7(5)11-8(12)10-6/h2-4H2,1H3,(H2,9,10,11,12)
InChIKeyHMBPNSUJRASUQV-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.30
Rot. Bonds1

About 4-ethyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one

4-ethyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one (PubChem CID 3303938) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 4-ethyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-ethyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
PubChem CID3303938
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name4-ethyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
SMILESCCc1[nH]c(=O)nc2c1CCN2
InChIInChI=1S/C8H11N3O/c1-2-6-5-3-4-9-7(5)11-8(12)10-6/h2-4H2,1H3,(H2,9,10,11,12)
InChIKeyHMBPNSUJRASUQV-UHFFFAOYSA-N
XLogP0.30
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-ethyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one (CID 3303938) is 4-ethyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-ethyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-ethyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one is CCc1[nH]c(=O)nc2c1CCN2.
What is the InChIKey of 4-ethyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The InChIKey is HMBPNSUJRASUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-2-6-5-3-4-9-7(5)11-8(12)10-6/h2-4H2,1H3,(H2,9,10,11,12).
What are the key properties of 4-ethyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
4-ethyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one has a molecular weight of 165.20 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 3303938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).