2-(4-bromoanilino)-4-methyl-1H-pyrimidin-6-one

C11H10BrN3O — CID 135667197

IUPAC2-(4-bromoanilino)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Nc2ccc(Br)cc2)n1
InChIInChI=1S/C11H10BrN3O/c1-7-6-10(16)15-11(13-7)14-9-4-2-8(12)3-5-9/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyIAMOZTDJOVAWLJ-UHFFFAOYSA-N
MW280.13 g/mol
LogP2.58
Rot. Bonds2

About 2-(4-bromoanilino)-4-methyl-1H-pyrimidin-6-one

2-(4-bromoanilino)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135667197) has the molecular formula C11H10BrN3O and a molecular weight of 280.13 g/mol. Its IUPAC name is 2-(4-bromoanilino)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-bromoanilino)-4-methyl-1H-pyrimidin-6-one
PubChem CID135667197
Molecular FormulaC11H10BrN3O
Molecular Weight280.13 g/mol
Exact Mass279.00
IUPAC Name2-(4-bromoanilino)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Nc2ccc(Br)cc2)n1
InChIInChI=1S/C11H10BrN3O/c1-7-6-10(16)15-11(13-7)14-9-4-2-8(12)3-5-9/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyIAMOZTDJOVAWLJ-UHFFFAOYSA-N
XLogP2.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-bromoanilino)-4-methyl-1H-pyrimidin-6-one (CID 135667197) is 2-(4-bromoanilino)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-bromoanilino)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-bromoanilino)-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(Nc2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromoanilino)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is IAMOZTDJOVAWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O/c1-7-6-10(16)15-11(13-7)14-9-4-2-8(12)3-5-9/h2-6H,1H3,(H2,13,14,15,16).
What are the key properties of 2-(4-bromoanilino)-4-methyl-1H-pyrimidin-6-one?
2-(4-bromoanilino)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 280.13 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135667197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).