2-(3-aminophenyl)-4-ethyl-1H-pyrimidin-6-one

C12H13N3O — CID 135926899

IUPAC2-(3-aminophenyl)-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2cccc(N)c2)n1
InChIInChI=1S/C12H13N3O/c1-2-10-7-11(16)15-12(14-10)8-4-3-5-9(13)6-8/h3-7H,2,13H2,1H3,(H,14,15,16)
InChIKeyVCGIACRJQWYQEY-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.58
Rot. Bonds2

About 2-(3-aminophenyl)-4-ethyl-1H-pyrimidin-6-one

2-(3-aminophenyl)-4-ethyl-1H-pyrimidin-6-one (PubChem CID 135926899) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-(3-aminophenyl)-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-aminophenyl)-4-ethyl-1H-pyrimidin-6-one
PubChem CID135926899
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-(3-aminophenyl)-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2cccc(N)c2)n1
InChIInChI=1S/C12H13N3O/c1-2-10-7-11(16)15-12(14-10)8-4-3-5-9(13)6-8/h3-7H,2,13H2,1H3,(H,14,15,16)
InChIKeyVCGIACRJQWYQEY-UHFFFAOYSA-N
XLogP1.58
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-6-phenyl-4-pyrimidinol
CID 135443077
6-Methyl-2-phenylpyrimidin-4-ol
CID 135448999
6-Methyl-2-(4-(trifluoromethyl)phenyl)pyrimidin-4-ol
CID 135435537
2-Phenylpyrimidine-4,6-diol
CID 241011
2-Phenylpyrimidin-4-ol
CID 259156
N-[4-(3-methylphenyl)imino-1,4a-dihydrocyclopenta[d]pyrimidin-5-yl]prop-2-enamide
CID 136036219
5,6-Diamino-2-phenylpyrimidin-4(3H)-one
CID 135401368
5-Methyl-2,6-diphenyl-4-pyrimidinol
CID 135401354
6-Methyl-2-(3-methylphenyl)pyrimidin-4-ol
CID 135472983
4-Hydroxy-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 135410007
2-Ethyl-6-phenyl-4(3H)-pyrimidinone
CID 135473407
6-(Nonafluorobutyl)-2-phenylpyrimidin-4(3H)-one
CID 135446520

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-aminophenyl)-4-ethyl-1H-pyrimidin-6-one (CID 135926899) is 2-(3-aminophenyl)-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-aminophenyl)-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-aminophenyl)-4-ethyl-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-c2cccc(N)c2)n1.
What is the InChIKey of 2-(3-aminophenyl)-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is VCGIACRJQWYQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-2-10-7-11(16)15-12(14-10)8-4-3-5-9(13)6-8/h3-7H,2,13H2,1H3,(H,14,15,16).
What are the key properties of 2-(3-aminophenyl)-4-ethyl-1H-pyrimidin-6-one?
2-(3-aminophenyl)-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 215.26 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135926899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).