2-anilino-5-bromo-4-ethyl-1H-pyrimidin-6-one

C12H12BrN3O — CID 136951885

IUPAC2-anilino-5-bromo-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(Nc2ccccc2)[nH]c(=O)c1Br
InChIInChI=1S/C12H12BrN3O/c1-2-9-10(13)11(17)16-12(15-9)14-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,14,15,16,17)
InChIKeyVDCWANBTEJQUIX-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.84
Rot. Bonds3

About 2-anilino-5-bromo-4-ethyl-1H-pyrimidin-6-one

2-anilino-5-bromo-4-ethyl-1H-pyrimidin-6-one (PubChem CID 136951885) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 2-anilino-5-bromo-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-anilino-5-bromo-4-ethyl-1H-pyrimidin-6-one
PubChem CID136951885
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name2-anilino-5-bromo-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(Nc2ccccc2)[nH]c(=O)c1Br
InChIInChI=1S/C12H12BrN3O/c1-2-9-10(13)11(17)16-12(15-9)14-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,14,15,16,17)
InChIKeyVDCWANBTEJQUIX-UHFFFAOYSA-N
XLogP2.84
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-5-bromo-4-propyl-1H-pyrimidin-6-one
CID 135713587
2-anilino-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 135645205
2-anilino-5-iodo-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136773784
2-anilino-4-tert-butyl-5-iodo-1H-pyrimidin-6-one
CID 136773780
2-anilino-5-benzyl-4-methyl-1H-pyrimidin-6-one
CID 135645206
4-amino-2-anilino-5-propan-2-yl-1H-pyrimidin-6-one
CID 136951883
5-bromo-4-ethyl-2-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one
CID 136984660
2-(4-anilinoanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135612093
5-bromo-2-(3-chloro-2-fluorophenyl)-4-ethyl-1H-pyrimidin-6-one
CID 136987476
3-(4-anilinoanilino)-6-benzyl-4H-1,2,4-triazin-5-one
CID 135594235
2-(3,5-dimethylanilino)-3H-quinazolin-4-one
CID 135439663
2-(3-methylsulfanylanilino)-3H-quinazolin-4-one
CID 136779337

Frequently Asked Questions

What is the IUPAC name of 2-anilino-5-bromo-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-anilino-5-bromo-4-ethyl-1H-pyrimidin-6-one (CID 136951885) is 2-anilino-5-bromo-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-anilino-5-bromo-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-anilino-5-bromo-4-ethyl-1H-pyrimidin-6-one is CCc1nc(Nc2ccccc2)[nH]c(=O)c1Br.
What is the InChIKey of 2-anilino-5-bromo-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is VDCWANBTEJQUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-2-9-10(13)11(17)16-12(15-9)14-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-anilino-5-bromo-4-ethyl-1H-pyrimidin-6-one?
2-anilino-5-bromo-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 294.15 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-5-bromo-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136951885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).