2-amino-5-bromo-4-pyridin-3-yl-1H-pyrimidin-6-one

C9H7BrN4O — CID 135480668

IUPAC2-amino-5-bromo-4-pyridin-3-yl-1H-pyrimidin-6-one
SMILESNc1nc(-c2cccnc2)c(Br)c(=O)[nH]1
InChIInChI=1S/C9H7BrN4O/c10-6-7(5-2-1-3-12-4-5)13-9(11)14-8(6)15/h1-4H,(H3,11,13,14,15)
InChIKeyYFAJEDUJHARPSF-UHFFFAOYSA-N
MW267.09 g/mol
LogP1.18
Rot. Bonds1

About 2-amino-5-bromo-4-pyridin-3-yl-1H-pyrimidin-6-one

2-amino-5-bromo-4-pyridin-3-yl-1H-pyrimidin-6-one (PubChem CID 135480668) has the molecular formula C9H7BrN4O and a molecular weight of 267.09 g/mol. Its IUPAC name is 2-amino-5-bromo-4-pyridin-3-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-bromo-4-pyridin-3-yl-1H-pyrimidin-6-one
PubChem CID135480668
Molecular FormulaC9H7BrN4O
Molecular Weight267.09 g/mol
Exact Mass265.98
IUPAC Name2-amino-5-bromo-4-pyridin-3-yl-1H-pyrimidin-6-one
SMILESNc1nc(-c2cccnc2)c(Br)c(=O)[nH]1
InChIInChI=1S/C9H7BrN4O/c10-6-7(5-2-1-3-12-4-5)13-9(11)14-8(6)15/h1-4H,(H3,11,13,14,15)
InChIKeyYFAJEDUJHARPSF-UHFFFAOYSA-N
XLogP1.18
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.09
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-bromo-4-(4-phenylmethoxyphenyl)-1H-pyrimidin-6-one
CID 135435151
4-pyridin-3-yl-1,2,5-thiadiazol-3-one
CID 70007227
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-3-yl-1H-imidazol-2-amine
CID 142578013
2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetrapyridin-3-yl-21,23-dihydroporphyrin
CID 136880979
3-bromo-5-pyridin-3-ylpyrazin-2-amine
CID 139409463
6-amino-5-pyridin-3-yl-1H-pyrimidin-2-one
CID 15138995
5-(4-bromophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 79431022
2-amino-9-(2-pyridin-3-ylethyl)-1H-purin-6-one
CID 136934425
6-methyl-2-pyridin-3-ylpyridin-3-amine
CID 46315250
5-bromo-2-pyridin-3-ylpyrimidin-4-amine
CID 66302850
2-pyridin-3-yl-3,4,5,6-tetrahydroimidazo[4,5-c]pyridin-7-one
CID 96612175
2,6-dipyridin-3-ylpyridine
CID 13349632

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-pyridin-3-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-bromo-4-pyridin-3-yl-1H-pyrimidin-6-one (CID 135480668) is 2-amino-5-bromo-4-pyridin-3-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-bromo-4-pyridin-3-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-bromo-4-pyridin-3-yl-1H-pyrimidin-6-one is Nc1nc(-c2cccnc2)c(Br)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-bromo-4-pyridin-3-yl-1H-pyrimidin-6-one?
The InChIKey is YFAJEDUJHARPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4O/c10-6-7(5-2-1-3-12-4-5)13-9(11)14-8(6)15/h1-4H,(H3,11,13,14,15).
What are the key properties of 2-amino-5-bromo-4-pyridin-3-yl-1H-pyrimidin-6-one?
2-amino-5-bromo-4-pyridin-3-yl-1H-pyrimidin-6-one has a molecular weight of 267.09 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-4-pyridin-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135480668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).