4-[2-(3-aminophenyl)imidazol-1-yl]-2-ethyl-1H-pyrimidin-6-one

C15H15N5O — CID 136979916

IUPAC4-[2-(3-aminophenyl)imidazol-1-yl]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(-n2ccnc2-c2cccc(N)c2)cc(=O)[nH]1
InChIInChI=1S/C15H15N5O/c1-2-12-18-13(9-14(21)19-12)20-7-6-17-15(20)10-4-3-5-11(16)8-10/h3-9H,2,16H2,1H3,(H,18,19,21)
InChIKeyOTBHZYLYPNVDBZ-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.77
Rot. Bonds3

About 4-[2-(3-aminophenyl)imidazol-1-yl]-2-ethyl-1H-pyrimidin-6-one

4-[2-(3-aminophenyl)imidazol-1-yl]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136979916) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-[2-(3-aminophenyl)imidazol-1-yl]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(3-aminophenyl)imidazol-1-yl]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136979916
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name4-[2-(3-aminophenyl)imidazol-1-yl]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(-n2ccnc2-c2cccc(N)c2)cc(=O)[nH]1
InChIInChI=1S/C15H15N5O/c1-2-12-18-13(9-14(21)19-12)20-7-6-17-15(20)10-4-3-5-11(16)8-10/h3-9H,2,16H2,1H3,(H,18,19,21)
InChIKeyOTBHZYLYPNVDBZ-UHFFFAOYSA-N
XLogP1.77
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(aminomethyl)imidazol-1-yl]-2-ethyl-1H-pyrimidin-6-one
CID 137008289
3-[1-(5-methyl-2-pyridinyl)imidazol-2-yl]aniline
CID 61176606
6-[2-(3-aminophenyl)imidazol-1-yl]pyridine-2-carbonitrile
CID 64589204
3-[1-(3,6-dimethylpyrazin-2-yl)imidazol-2-yl]aniline
CID 61176241
4-[2-(3-aminophenyl)imidazol-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136979919
4-(5-amino-1,3-dihydroisoindol-2-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136979446
3-(1-butylimidazol-2-yl)aniline
CID 60813678
3-[1-(1,3-thiazol-2-yl)imidazol-2-yl]aniline
CID 61176601
3-[2-(3-aminophenyl)imidazol-1-yl]pyrazine-2-carboxamide
CID 62685335
2-ethyl-4-(2-methylbenzimidazol-1-yl)-1H-pyrimidin-6-one
CID 137008906
(2S)-1-[[4-[2-(3-aminophenyl)imidazol-1-yl]pyrimidin-2-yl]amino]propan-2-ol;(2S)-1-[[4-[2-(3-nitrophenyl)imidazol-1-yl]pyrimidin-2-yl]amino]propan-2-ol
CID 67109643
3-[1-[(1-methylpyrazol-3-yl)methyl]imidazol-2-yl]aniline
CID 82866200

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-aminophenyl)imidazol-1-yl]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(3-aminophenyl)imidazol-1-yl]-2-ethyl-1H-pyrimidin-6-one (CID 136979916) is 4-[2-(3-aminophenyl)imidazol-1-yl]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(3-aminophenyl)imidazol-1-yl]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(3-aminophenyl)imidazol-1-yl]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(-n2ccnc2-c2cccc(N)c2)cc(=O)[nH]1.
What is the InChIKey of 4-[2-(3-aminophenyl)imidazol-1-yl]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is OTBHZYLYPNVDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-2-12-18-13(9-14(21)19-12)20-7-6-17-15(20)10-4-3-5-11(16)8-10/h3-9H,2,16H2,1H3,(H,18,19,21).
What are the key properties of 4-[2-(3-aminophenyl)imidazol-1-yl]-2-ethyl-1H-pyrimidin-6-one?
4-[2-(3-aminophenyl)imidazol-1-yl]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 281.32 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-aminophenyl)imidazol-1-yl]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136979916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).