4-amino-1-ethenylpyrimidin-2-one

C6H7N3O — CID 5259967

IUPAC4-amino-1-ethenylpyrimidin-2-one
SMILESC=Cn1ccc(N)nc1=O
InChIInChI=1S/C6H7N3O/c1-2-9-4-3-5(7)8-6(9)10/h2-4H,1H2,(H2,7,8,10)
InChIKeyDQPXTJDODLLXHG-UHFFFAOYSA-N
MW137.14 g/mol
LogP-0.07
Rot. Bonds1

About 4-amino-1-ethenylpyrimidin-2-one

4-amino-1-ethenylpyrimidin-2-one (PubChem CID 5259967) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is 4-amino-1-ethenylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-ethenylpyrimidin-2-one
PubChem CID5259967
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Name4-amino-1-ethenylpyrimidin-2-one
SMILESC=Cn1ccc(N)nc1=O
InChIInChI=1S/C6H7N3O/c1-2-9-4-3-5(7)8-6(9)10/h2-4H,1H2,(H2,7,8,10)
InChIKeyDQPXTJDODLLXHG-UHFFFAOYSA-N
XLogP-0.07
TPSA60.91 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 ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethenylpyrimidin-2-one?
The IUPAC name of 4-amino-1-ethenylpyrimidin-2-one (CID 5259967) is 4-amino-1-ethenylpyrimidin-2-one.
What is the SMILES notation for 4-amino-1-ethenylpyrimidin-2-one?
The canonical SMILES for 4-amino-1-ethenylpyrimidin-2-one is C=Cn1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-ethenylpyrimidin-2-one?
The InChIKey is DQPXTJDODLLXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O/c1-2-9-4-3-5(7)8-6(9)10/h2-4H,1H2,(H2,7,8,10).
What are the key properties of 4-amino-1-ethenylpyrimidin-2-one?
4-amino-1-ethenylpyrimidin-2-one has a molecular weight of 137.14 g/mol, XLogP of -0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethenylpyrimidin-2-one is sourced from PubChem (CID 5259967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).