2-amino-5-(4-bromophenyl)-1H-pyrimidin-6-one

C10H8BrN3O — CID 57283672

IUPAC2-amino-5-(4-bromophenyl)-1H-pyrimidin-6-one
SMILESNc1ncc(-c2ccc(Br)cc2)c(=O)[nH]1
InChIInChI=1S/C10H8BrN3O/c11-7-3-1-6(2-4-7)8-5-13-10(12)14-9(8)15/h1-5H,(H3,12,13,14,15)
InChIKeyGCRCNHOQFYOXOS-UHFFFAOYSA-N
MW266.10 g/mol
LogP1.78
Rot. Bonds1

About 2-amino-5-(4-bromophenyl)-1H-pyrimidin-6-one

2-amino-5-(4-bromophenyl)-1H-pyrimidin-6-one (PubChem CID 57283672) has the molecular formula C10H8BrN3O and a molecular weight of 266.10 g/mol. Its IUPAC name is 2-amino-5-(4-bromophenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-(4-bromophenyl)-1H-pyrimidin-6-one
PubChem CID57283672
Molecular FormulaC10H8BrN3O
Molecular Weight266.10 g/mol
Exact Mass264.99
IUPAC Name2-amino-5-(4-bromophenyl)-1H-pyrimidin-6-one
SMILESNc1ncc(-c2ccc(Br)cc2)c(=O)[nH]1
InChIInChI=1S/C10H8BrN3O/c11-7-3-1-6(2-4-7)8-5-13-10(12)14-9(8)15/h1-5H,(H3,12,13,14,15)
InChIKeyGCRCNHOQFYOXOS-UHFFFAOYSA-N
XLogP1.78
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.10
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-bromophenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-(4-bromophenyl)-1H-pyrimidin-6-one (CID 57283672) is 2-amino-5-(4-bromophenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-(4-bromophenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-(4-bromophenyl)-1H-pyrimidin-6-one is Nc1ncc(-c2ccc(Br)cc2)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-(4-bromophenyl)-1H-pyrimidin-6-one?
The InChIKey is GCRCNHOQFYOXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O/c11-7-3-1-6(2-4-7)8-5-13-10(12)14-9(8)15/h1-5H,(H3,12,13,14,15).
What are the key properties of 2-amino-5-(4-bromophenyl)-1H-pyrimidin-6-one?
2-amino-5-(4-bromophenyl)-1H-pyrimidin-6-one has a molecular weight of 266.10 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-bromophenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 57283672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).