6-amino-5-(3-oxo-3-phenylprop-1-en-2-yl)-1H-pyrimidin-2-one

C13H11N3O2 — CID 174482476

IUPAC6-amino-5-(3-oxo-3-phenylprop-1-en-2-yl)-1H-pyrimidin-2-one
SMILESC=C(C(=O)c1ccccc1)c1cnc(=O)[nH]c1N
InChIInChI=1S/C13H11N3O2/c1-8(10-7-15-13(18)16-12(10)14)11(17)9-5-3-2-4-6-9/h2-7H,1H2,(H3,14,15,16,18)
InChIKeyKSVRHUQAUDCHJZ-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.25
Rot. Bonds3

About 6-amino-5-(3-oxo-3-phenylprop-1-en-2-yl)-1H-pyrimidin-2-one

6-amino-5-(3-oxo-3-phenylprop-1-en-2-yl)-1H-pyrimidin-2-one (PubChem CID 174482476) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 6-amino-5-(3-oxo-3-phenylprop-1-en-2-yl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-(3-oxo-3-phenylprop-1-en-2-yl)-1H-pyrimidin-2-one
PubChem CID174482476
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name6-amino-5-(3-oxo-3-phenylprop-1-en-2-yl)-1H-pyrimidin-2-one
SMILESC=C(C(=O)c1ccccc1)c1cnc(=O)[nH]c1N
InChIInChI=1S/C13H11N3O2/c1-8(10-7-15-13(18)16-12(10)14)11(17)9-5-3-2-4-6-9/h2-7H,1H2,(H3,14,15,16,18)
InChIKeyKSVRHUQAUDCHJZ-UHFFFAOYSA-N
XLogP1.25
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-amino-5-benzoyl-1H-pyrimidin-2-one
CID 19842463
6-amino-5-(3-methoxybenzoyl)-1H-pyrimidin-2-one
CID 82085699
6-amino-5-(2-methylpropanoyl)-1H-pyrimidin-2-one
CID 82075087
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
6-amino-5-(3-fluoro-4-methoxybenzoyl)-1H-pyrimidin-2-one
CID 82091108
bis(1,2-diphenylethane-1,2-dione);silylidenezirconium
CID 158973097
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
1,2-diphenylethane-1,2-dione;iron
CID 70488368
5-benzoyl-6-oxo-1H-pyrimidine-2-carboxylic acid
CID 59803090

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(3-oxo-3-phenylprop-1-en-2-yl)-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-5-(3-oxo-3-phenylprop-1-en-2-yl)-1H-pyrimidin-2-one (CID 174482476) is 6-amino-5-(3-oxo-3-phenylprop-1-en-2-yl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-(3-oxo-3-phenylprop-1-en-2-yl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-5-(3-oxo-3-phenylprop-1-en-2-yl)-1H-pyrimidin-2-one is C=C(C(=O)c1ccccc1)c1cnc(=O)[nH]c1N.
What is the InChIKey of 6-amino-5-(3-oxo-3-phenylprop-1-en-2-yl)-1H-pyrimidin-2-one?
The InChIKey is KSVRHUQAUDCHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-8(10-7-15-13(18)16-12(10)14)11(17)9-5-3-2-4-6-9/h2-7H,1H2,(H3,14,15,16,18).
What are the key properties of 6-amino-5-(3-oxo-3-phenylprop-1-en-2-yl)-1H-pyrimidin-2-one?
6-amino-5-(3-oxo-3-phenylprop-1-en-2-yl)-1H-pyrimidin-2-one has a molecular weight of 241.25 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(3-oxo-3-phenylprop-1-en-2-yl)-1H-pyrimidin-2-one is sourced from PubChem (CID 174482476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).