6-amino-5-benzoyl-1H-pyrimidin-2-one

C11H9N3O2 — CID 19842463

IUPAC6-amino-5-benzoyl-1H-pyrimidin-2-one
SMILESNc1[nH]c(=O)ncc1C(=O)c1ccccc1
InChIInChI=1S/C11H9N3O2/c12-10-8(6-13-11(16)14-10)9(15)7-4-2-1-3-5-7/h1-6H,(H3,12,13,14,16)
InChIKeyOGFIYWOCZUFUTC-UHFFFAOYSA-N
MW215.21 g/mol
LogP0.58
Rot. Bonds2

About 6-amino-5-benzoyl-1H-pyrimidin-2-one

6-amino-5-benzoyl-1H-pyrimidin-2-one (PubChem CID 19842463) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 6-amino-5-benzoyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-benzoyl-1H-pyrimidin-2-one
PubChem CID19842463
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name6-amino-5-benzoyl-1H-pyrimidin-2-one
SMILESNc1[nH]c(=O)ncc1C(=O)c1ccccc1
InChIInChI=1S/C11H9N3O2/c12-10-8(6-13-11(16)14-10)9(15)7-4-2-1-3-5-7/h1-6H,(H3,12,13,14,16)
InChIKeyOGFIYWOCZUFUTC-UHFFFAOYSA-N
XLogP0.58
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-5-(3-oxo-3-phenylprop-1-en-2-yl)-1H-pyrimidin-2-one
CID 174482476
6-amino-5-(3-methoxybenzoyl)-1H-pyrimidin-2-one
CID 82085699
6-amino-5-(3-fluoro-4-methoxybenzoyl)-1H-pyrimidin-2-one
CID 82091108
5-benzoyl-6-oxo-1H-pyrimidine-2-carboxylic acid
CID 59803090
6-amino-5-(2-methylpropanoyl)-1H-pyrimidin-2-one
CID 82075087
6-amino-5-benzoyl-1-phenylpyrimidin-2-one
CID 23794289
(2-aminophenyl)-phenylmethanone
CID 158207972
(2-aminophenyl)-phenylmethanone;diphenylmethanone
CID 90112643
(2,5-dichloro-4-pyridinyl)-phenylmethanone
CID 6421230
diphenylmethanone
CID 3102
(2-amino-1H-imidazo[4,5-b]pyridin-6-yl)-phenylmethanone
CID 15048566
phenyl-(2-silylphenyl)methanone
CID 137327642

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-benzoyl-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-5-benzoyl-1H-pyrimidin-2-one (CID 19842463) is 6-amino-5-benzoyl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-benzoyl-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-5-benzoyl-1H-pyrimidin-2-one is Nc1[nH]c(=O)ncc1C(=O)c1ccccc1.
What is the InChIKey of 6-amino-5-benzoyl-1H-pyrimidin-2-one?
The InChIKey is OGFIYWOCZUFUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c12-10-8(6-13-11(16)14-10)9(15)7-4-2-1-3-5-7/h1-6H,(H3,12,13,14,16).
What are the key properties of 6-amino-5-benzoyl-1H-pyrimidin-2-one?
6-amino-5-benzoyl-1H-pyrimidin-2-one has a molecular weight of 215.21 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-benzoyl-1H-pyrimidin-2-one is sourced from PubChem (CID 19842463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).