2-amino-4-[(3-bromophenyl)methyl]-1H-pyrimidin-6-one

C11H10BrN3O — CID 135966949

IUPAC2-amino-4-[(3-bromophenyl)methyl]-1H-pyrimidin-6-one
SMILESNc1nc(Cc2cccc(Br)c2)cc(=O)[nH]1
InChIInChI=1S/C11H10BrN3O/c12-8-3-1-2-7(4-8)5-9-6-10(16)15-11(13)14-9/h1-4,6H,5H2,(H3,13,14,15,16)
InChIKeyUIWHODLSUMMVIR-UHFFFAOYSA-N
MW280.12 g/mol
LogP1.71
Rot. Bonds2

About 2-amino-4-[(3-bromophenyl)methyl]-1H-pyrimidin-6-one

2-amino-4-[(3-bromophenyl)methyl]-1H-pyrimidin-6-one (PubChem CID 135966949) has the molecular formula C11H10BrN3O and a molecular weight of 280.12 g/mol. Its IUPAC name is 2-amino-4-[(3-bromophenyl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[(3-bromophenyl)methyl]-1H-pyrimidin-6-one
PubChem CID135966949
Molecular FormulaC11H10BrN3O
Molecular Weight280.12 g/mol
Exact Mass279.00
IUPAC Name2-amino-4-[(3-bromophenyl)methyl]-1H-pyrimidin-6-one
SMILESNc1nc(Cc2cccc(Br)c2)cc(=O)[nH]1
InChIInChI=1S/C11H10BrN3O/c12-8-3-1-2-7(4-8)5-9-6-10(16)15-11(13)14-9/h1-4,6H,5H2,(H3,13,14,15,16)
InChIKeyUIWHODLSUMMVIR-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

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CID 63690491
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CID 79004444
3-[(3-bromophenyl)methyl]pyridazine
CID 117106529
[5-[(3-bromophenyl)methyl]-1H-pyrazol-3-yl]methanamine
CID 115092952
(3-bromophenyl)methanamine;hydroiodide
CID 175169219
2-amino-4-[[benzyl(2-methoxyethyl)amino]methyl]-1H-pyrimidin-6-one
CID 137289628
8-[(3-bromophenyl)methyl]-7H-purin-6-amine
CID 114608290
4-[(3-bromophenyl)methyl]-6-propan-2-yl-1,3,5-triazin-2-amine
CID 55251813
2-[(3-bromophenyl)methyl]-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135939646
4-benzyl-2-methoxy-1H-pyrimidin-6-one
CID 135483738
magnesium;(3-bromophenyl)methanamine;dibromide
CID 174355920
5-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(3-bromophenyl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[(3-bromophenyl)methyl]-1H-pyrimidin-6-one (CID 135966949) is 2-amino-4-[(3-bromophenyl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[(3-bromophenyl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[(3-bromophenyl)methyl]-1H-pyrimidin-6-one is Nc1nc(Cc2cccc(Br)c2)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-[(3-bromophenyl)methyl]-1H-pyrimidin-6-one?
The InChIKey is UIWHODLSUMMVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O/c12-8-3-1-2-7(4-8)5-9-6-10(16)15-11(13)14-9/h1-4,6H,5H2,(H3,13,14,15,16).
What are the key properties of 2-amino-4-[(3-bromophenyl)methyl]-1H-pyrimidin-6-one?
2-amino-4-[(3-bromophenyl)methyl]-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-[(3-bromophenyl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135966949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).