5-(3-bromoanilino)-6-methyl-1H-pyrimidin-2-one

C11H10BrN3O — CID 115051501

IUPAC5-(3-bromoanilino)-6-methyl-1H-pyrimidin-2-one
SMILESCc1[nH]c(=O)ncc1Nc1cccc(Br)c1
InChIInChI=1S/C11H10BrN3O/c1-7-10(6-13-11(16)14-7)15-9-4-2-3-8(12)5-9/h2-6,15H,1H3,(H,13,14,16)
InChIKeyXSPWGCKMQSSJKA-UHFFFAOYSA-N
MW280.12 g/mol
LogP2.58
Rot. Bonds2

About 5-(3-bromoanilino)-6-methyl-1H-pyrimidin-2-one

5-(3-bromoanilino)-6-methyl-1H-pyrimidin-2-one (PubChem CID 115051501) has the molecular formula C11H10BrN3O and a molecular weight of 280.12 g/mol. Its IUPAC name is 5-(3-bromoanilino)-6-methyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(3-bromoanilino)-6-methyl-1H-pyrimidin-2-one
PubChem CID115051501
Molecular FormulaC11H10BrN3O
Molecular Weight280.12 g/mol
Exact Mass279.00
IUPAC Name5-(3-bromoanilino)-6-methyl-1H-pyrimidin-2-one
SMILESCc1[nH]c(=O)ncc1Nc1cccc(Br)c1
InChIInChI=1S/C11H10BrN3O/c1-7-10(6-13-11(16)14-7)15-9-4-2-3-8(12)5-9/h2-6,15H,1H3,(H,13,14,16)
InChIKeyXSPWGCKMQSSJKA-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 ≤ 500280.12
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-hydroxyanilino)-6-methyl-1H-pyrimidin-2-one
CID 115029941
N-(3-bromophenyl)-5-methyl-1H-pyrazol-4-amine
CID 115046902
5-[4-(aminomethyl)anilino]-6-methyl-1H-pyrimidin-2-one
CID 115037766
N-(3-bromophenyl)-1,5-dimethylpyrazol-4-amine
CID 115049456
5-(3-bromoanilino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 63537974
5-bromo-N-(3-bromophenyl)pyridin-2-amine
CID 61375271
4-(3-bromoanilino)-6-chloropyridine-3-carboxamide;ethane
CID 144625083
1-N-(3-bromophenyl)-2-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine
CID 176782493
3-bromo-N-phenylaniline
CID 14958606
2-(3-bromoanilino)-4-methylpyrimidine-5-carboxylic acid
CID 83181581
2-amino-5-(3-chloroanilino)-1H-pyrimidin-6-one
CID 91621942
N-(3-bromophenyl)-2,8-dimethylquinolin-4-amine
CID 772388

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromoanilino)-6-methyl-1H-pyrimidin-2-one?
The IUPAC name of 5-(3-bromoanilino)-6-methyl-1H-pyrimidin-2-one (CID 115051501) is 5-(3-bromoanilino)-6-methyl-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(3-bromoanilino)-6-methyl-1H-pyrimidin-2-one?
The canonical SMILES for 5-(3-bromoanilino)-6-methyl-1H-pyrimidin-2-one is Cc1[nH]c(=O)ncc1Nc1cccc(Br)c1.
What is the InChIKey of 5-(3-bromoanilino)-6-methyl-1H-pyrimidin-2-one?
The InChIKey is XSPWGCKMQSSJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O/c1-7-10(6-13-11(16)14-7)15-9-4-2-3-8(12)5-9/h2-6,15H,1H3,(H,13,14,16).
What are the key properties of 5-(3-bromoanilino)-6-methyl-1H-pyrimidin-2-one?
5-(3-bromoanilino)-6-methyl-1H-pyrimidin-2-one has a molecular weight of 280.12 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 5-(3-bromoanilino)-6-methyl-1H-pyrimidin-2-one is sourced from PubChem (CID 115051501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).