5-amino-3-ethyl-2-phenylpyrimidin-4-one

C12H13N3O — CID 142150643

IUPAC5-amino-3-ethyl-2-phenylpyrimidin-4-one
SMILESCCn1c(-c2ccccc2)ncc(N)c1=O
InChIInChI=1S/C12H13N3O/c1-2-15-11(9-6-4-3-5-7-9)14-8-10(13)12(15)16/h3-8H,2,13H2,1H3
InChIKeyKVTHDXHYAOVNMN-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.51
Rot. Bonds2

About 5-amino-3-ethyl-2-phenylpyrimidin-4-one

5-amino-3-ethyl-2-phenylpyrimidin-4-one (PubChem CID 142150643) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 5-amino-3-ethyl-2-phenylpyrimidin-4-one.

Molecular Properties

Compound Name5-amino-3-ethyl-2-phenylpyrimidin-4-one
PubChem CID142150643
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name5-amino-3-ethyl-2-phenylpyrimidin-4-one
SMILESCCn1c(-c2ccccc2)ncc(N)c1=O
InChIInChI=1S/C12H13N3O/c1-2-15-11(9-6-4-3-5-7-9)14-8-10(13)12(15)16/h3-8H,2,13H2,1H3
InChIKeyKVTHDXHYAOVNMN-UHFFFAOYSA-N
XLogP1.51
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)acetaldehyde;2-methoxy-2-methylpropane
CID 170789392
3-ethyl-2-phenylquinazolin-4-one
CID 12626608
1-ethyl-5-ethylsulfanyl-2-phenylimidazole;hydron;chloride
CID 2999095
2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-(4-chloro-3-oxo-1-phenylbutan-2-yl)acetamide;hydrochloride
CID 23073095
4-[[2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)acetyl]amino]-2,2-difluoro-5-methyl-3-oxo-N-propylhexanamide
CID 19390780
5-methyl-2-phenyl-3-prop-2-enylpyrimidin-4-one
CID 142016794
N-[1-ethyl-2-(4-methoxyphenyl)-6-oxopyrimidin-5-yl]benzamide
CID 142150656
1-benzyl-5-methyl-2-phenylimidazole
CID 10467205
2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide
CID 10343847
(3R)-3-[[2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]acetyl]amino]butanoic acid
CID 59601425
2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetaldehyde
CID 57271576
2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetic acid
CID 18366637

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-ethyl-2-phenylpyrimidin-4-one?
The IUPAC name of 5-amino-3-ethyl-2-phenylpyrimidin-4-one (CID 142150643) is 5-amino-3-ethyl-2-phenylpyrimidin-4-one.
What is the SMILES notation for 5-amino-3-ethyl-2-phenylpyrimidin-4-one?
The canonical SMILES for 5-amino-3-ethyl-2-phenylpyrimidin-4-one is CCn1c(-c2ccccc2)ncc(N)c1=O.
What is the InChIKey of 5-amino-3-ethyl-2-phenylpyrimidin-4-one?
The InChIKey is KVTHDXHYAOVNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-2-15-11(9-6-4-3-5-7-9)14-8-10(13)12(15)16/h3-8H,2,13H2,1H3.
What are the key properties of 5-amino-3-ethyl-2-phenylpyrimidin-4-one?
5-amino-3-ethyl-2-phenylpyrimidin-4-one has a molecular weight of 215.26 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-ethyl-2-phenylpyrimidin-4-one is sourced from PubChem (CID 142150643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).