1-(2-aminopyrimidin-5-yl)ethanone

C6H7N3O — CID 14442199

IUPAC1-(2-aminopyrimidin-5-yl)ethanone
SMILESCC(=O)c1cnc(N)nc1
InChIInChI=1S/C6H7N3O/c1-4(10)5-2-8-6(7)9-3-5/h2-3H,1H3,(H2,7,8,9)
InChIKeyUYVRMDUESKFUJX-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.26
Rot. Bonds1

About 1-(2-aminopyrimidin-5-yl)ethanone

1-(2-aminopyrimidin-5-yl)ethanone (PubChem CID 14442199) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is 1-(2-aminopyrimidin-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-aminopyrimidin-5-yl)ethanone
PubChem CID14442199
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Name1-(2-aminopyrimidin-5-yl)ethanone
SMILESCC(=O)c1cnc(N)nc1
InChIInChI=1S/C6H7N3O/c1-4(10)5-2-8-6(7)9-3-5/h2-3H,1H3,(H2,7,8,9)
InChIKeyUYVRMDUESKFUJX-UHFFFAOYSA-N
XLogP0.26
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopyrimidin-5-yl)ethanone?
The IUPAC name of 1-(2-aminopyrimidin-5-yl)ethanone (CID 14442199) is 1-(2-aminopyrimidin-5-yl)ethanone.
What is the SMILES notation for 1-(2-aminopyrimidin-5-yl)ethanone?
The canonical SMILES for 1-(2-aminopyrimidin-5-yl)ethanone is CC(=O)c1cnc(N)nc1.
What is the InChIKey of 1-(2-aminopyrimidin-5-yl)ethanone?
The InChIKey is UYVRMDUESKFUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O/c1-4(10)5-2-8-6(7)9-3-5/h2-3H,1H3,(H2,7,8,9).
What are the key properties of 1-(2-aminopyrimidin-5-yl)ethanone?
1-(2-aminopyrimidin-5-yl)ethanone has a molecular weight of 137.14 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopyrimidin-5-yl)ethanone is sourced from PubChem (CID 14442199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).