1-(7-aminopyrrolo[1,2-c]pyrimidin-6-yl)ethanone

C9H9N3O — CID 58300336

IUPAC1-(7-aminopyrrolo[1,2-c]pyrimidin-6-yl)ethanone
SMILESCC(=O)c1cc2ccncn2c1N
InChIInChI=1S/C9H9N3O/c1-6(13)8-4-7-2-3-11-5-12(7)9(8)10/h2-5H,10H2,1H3
InChIKeyWLJFQGMWPNOUKO-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.12
Rot. Bonds1

About 1-(7-aminopyrrolo[1,2-c]pyrimidin-6-yl)ethanone

1-(7-aminopyrrolo[1,2-c]pyrimidin-6-yl)ethanone (PubChem CID 58300336) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 1-(7-aminopyrrolo[1,2-c]pyrimidin-6-yl)ethanone.

Molecular Properties

Compound Name1-(7-aminopyrrolo[1,2-c]pyrimidin-6-yl)ethanone
PubChem CID58300336
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name1-(7-aminopyrrolo[1,2-c]pyrimidin-6-yl)ethanone
SMILESCC(=O)c1cc2ccncn2c1N
InChIInChI=1S/C9H9N3O/c1-6(13)8-4-7-2-3-11-5-12(7)9(8)10/h2-5H,10H2,1H3
InChIKeyWLJFQGMWPNOUKO-UHFFFAOYSA-N
XLogP1.12
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(7-aminopyrrolo[1,2-c]pyrimidin-6-yl)ethanone?
The IUPAC name of 1-(7-aminopyrrolo[1,2-c]pyrimidin-6-yl)ethanone (CID 58300336) is 1-(7-aminopyrrolo[1,2-c]pyrimidin-6-yl)ethanone.
What is the SMILES notation for 1-(7-aminopyrrolo[1,2-c]pyrimidin-6-yl)ethanone?
The canonical SMILES for 1-(7-aminopyrrolo[1,2-c]pyrimidin-6-yl)ethanone is CC(=O)c1cc2ccncn2c1N.
What is the InChIKey of 1-(7-aminopyrrolo[1,2-c]pyrimidin-6-yl)ethanone?
The InChIKey is WLJFQGMWPNOUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-6(13)8-4-7-2-3-11-5-12(7)9(8)10/h2-5H,10H2,1H3.
What are the key properties of 1-(7-aminopyrrolo[1,2-c]pyrimidin-6-yl)ethanone?
1-(7-aminopyrrolo[1,2-c]pyrimidin-6-yl)ethanone has a molecular weight of 175.19 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-aminopyrrolo[1,2-c]pyrimidin-6-yl)ethanone is sourced from PubChem (CID 58300336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).