2-amino-4-benzyl-5-bromo-1H-pyrimidin-6-one

C11H10BrN3O — CID 135480618

IUPAC2-amino-4-benzyl-5-bromo-1H-pyrimidin-6-one
SMILESNc1nc(Cc2ccccc2)c(Br)c(=O)[nH]1
InChIInChI=1S/C11H10BrN3O/c12-9-8(14-11(13)15-10(9)16)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,13,14,15,16)
InChIKeyUSKQHNKZJKSXGL-UHFFFAOYSA-N
MW280.12 g/mol
LogP1.71
Rot. Bonds2

About 2-amino-4-benzyl-5-bromo-1H-pyrimidin-6-one

2-amino-4-benzyl-5-bromo-1H-pyrimidin-6-one (PubChem CID 135480618) has the molecular formula C11H10BrN3O and a molecular weight of 280.12 g/mol. Its IUPAC name is 2-amino-4-benzyl-5-bromo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-benzyl-5-bromo-1H-pyrimidin-6-one
PubChem CID135480618
Molecular FormulaC11H10BrN3O
Molecular Weight280.12 g/mol
Exact Mass279.00
IUPAC Name2-amino-4-benzyl-5-bromo-1H-pyrimidin-6-one
SMILESNc1nc(Cc2ccccc2)c(Br)c(=O)[nH]1
InChIInChI=1S/C11H10BrN3O/c12-9-8(14-11(13)15-10(9)16)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,13,14,15,16)
InChIKeyUSKQHNKZJKSXGL-UHFFFAOYSA-N
XLogP1.71
TPSA71.77 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 ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Bropirimine
CID 135413497
2-Amino-6-(2-phenylethyl)pyrimidin-4(3h)-one
CID 135408658
2-Amino-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
CID 135724997
2-Phenethylamino-6-propyl-3H-pyrimidin-4-one
CID 135424365
4(1H)-Pyrimidinone, 2-amino-5-chloro-6-phenyl-
CID 135480622
2-Imino-5-methyl-6-phenyl-1,2-dihydropyrimidin-4-ol
CID 135449835
2-Amino-6-phenylpyrimidin-4-ol
CID 135420365
2-(Methylamino)-6-phenylpyrimidin-4-ol
CID 135973621
2-amino-3-methyl-6-phenethyl-3H-pyrimidin-4-one
CID 16722358
2-amino-6-[2-(3-bromophenyl)ethyl]pyrimidin-4(3H)-one
CID 135779828
2-Amino-5-bromo-6-(3-fluorophenyl)-4(3H)pyrimidinone
CID 135407143
2-amino-5-bromo-4-(4-fluorophenyl)-1H-pyrimidin-6-one
CID 135444024

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-benzyl-5-bromo-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-benzyl-5-bromo-1H-pyrimidin-6-one (CID 135480618) is 2-amino-4-benzyl-5-bromo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-benzyl-5-bromo-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-benzyl-5-bromo-1H-pyrimidin-6-one is Nc1nc(Cc2ccccc2)c(Br)c(=O)[nH]1.
What is the InChIKey of 2-amino-4-benzyl-5-bromo-1H-pyrimidin-6-one?
The InChIKey is USKQHNKZJKSXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O/c12-9-8(14-11(13)15-10(9)16)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,13,14,15,16).
What are the key properties of 2-amino-4-benzyl-5-bromo-1H-pyrimidin-6-one?
2-amino-4-benzyl-5-bromo-1H-pyrimidin-6-one has a molecular weight of 280.12 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-benzyl-5-bromo-1H-pyrimidin-6-one is sourced from PubChem (CID 135480618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).