4-amino-1-propa-1,2-dienylpyrimidin-2-one

C7H7N3O — CID 15473765

IUPAC4-amino-1-propa-1,2-dienylpyrimidin-2-one
SMILESC=C=Cn1ccc(N)nc1=O
InChIInChI=1S/C7H7N3O/c1-2-4-10-5-3-6(8)9-7(10)11/h3-5H,1H2,(H2,8,9,11)
InChIKeyZIGPNDYCDJVLIM-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.08
Rot. Bonds1

About 4-amino-1-propa-1,2-dienylpyrimidin-2-one

4-amino-1-propa-1,2-dienylpyrimidin-2-one (PubChem CID 15473765) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 4-amino-1-propa-1,2-dienylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-propa-1,2-dienylpyrimidin-2-one
PubChem CID15473765
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name4-amino-1-propa-1,2-dienylpyrimidin-2-one
SMILESC=C=Cn1ccc(N)nc1=O
InChIInChI=1S/C7H7N3O/c1-2-4-10-5-3-6(8)9-7(10)11/h3-5H,1H2,(H2,8,9,11)
InChIKeyZIGPNDYCDJVLIM-UHFFFAOYSA-N
XLogP0.08
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-propa-1,2-dienylpyrimidin-2-one?
The IUPAC name of 4-amino-1-propa-1,2-dienylpyrimidin-2-one (CID 15473765) is 4-amino-1-propa-1,2-dienylpyrimidin-2-one.
What is the SMILES notation for 4-amino-1-propa-1,2-dienylpyrimidin-2-one?
The canonical SMILES for 4-amino-1-propa-1,2-dienylpyrimidin-2-one is C=C=Cn1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-propa-1,2-dienylpyrimidin-2-one?
The InChIKey is ZIGPNDYCDJVLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-2-4-10-5-3-6(8)9-7(10)11/h3-5H,1H2,(H2,8,9,11).
What are the key properties of 4-amino-1-propa-1,2-dienylpyrimidin-2-one?
4-amino-1-propa-1,2-dienylpyrimidin-2-one has a molecular weight of 149.15 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-propa-1,2-dienylpyrimidin-2-one is sourced from PubChem (CID 15473765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).