5-amino-1-ethylpyrimidin-4-one

C6H9N3O — CID 115114450

IUPAC5-amino-1-ethylpyrimidin-4-one
SMILESCCn1cnc(=O)c(N)c1
InChIInChI=1S/C6H9N3O/c1-2-9-3-5(7)6(10)8-4-9/h3-4H,2,7H2,1H3
InChIKeyYBQLVKAPVMLSSB-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.15
Rot. Bonds1

About 5-amino-1-ethylpyrimidin-4-one

5-amino-1-ethylpyrimidin-4-one (PubChem CID 115114450) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 5-amino-1-ethylpyrimidin-4-one.

Molecular Properties

Compound Name5-amino-1-ethylpyrimidin-4-one
PubChem CID115114450
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name5-amino-1-ethylpyrimidin-4-one
SMILESCCn1cnc(=O)c(N)c1
InChIInChI=1S/C6H9N3O/c1-2-9-3-5(7)6(10)8-4-9/h3-4H,2,7H2,1H3
InChIKeyYBQLVKAPVMLSSB-UHFFFAOYSA-N
XLogP-0.15
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-ethylpyrimidin-4-one?
The IUPAC name of 5-amino-1-ethylpyrimidin-4-one (CID 115114450) is 5-amino-1-ethylpyrimidin-4-one.
What is the SMILES notation for 5-amino-1-ethylpyrimidin-4-one?
The canonical SMILES for 5-amino-1-ethylpyrimidin-4-one is CCn1cnc(=O)c(N)c1.
What is the InChIKey of 5-amino-1-ethylpyrimidin-4-one?
The InChIKey is YBQLVKAPVMLSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-2-9-3-5(7)6(10)8-4-9/h3-4H,2,7H2,1H3.
What are the key properties of 5-amino-1-ethylpyrimidin-4-one?
5-amino-1-ethylpyrimidin-4-one has a molecular weight of 139.16 g/mol, XLogP of -0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-ethylpyrimidin-4-one is sourced from PubChem (CID 115114450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).