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

C5H4BrF2N3O — CID 136601925

IUPAC2-amino-5-bromo-4-(difluoromethyl)-1H-pyrimidin-6-one
SMILESNc1nc(C(F)F)c(Br)c(=O)[nH]1
InChIInChI=1S/C5H4BrF2N3O/c6-1-2(3(7)8)10-5(9)11-4(1)12/h3H,(H3,9,10,11,12)
InChIKeyCDXPVBHXISCXKJ-UHFFFAOYSA-N
MW240.01 g/mol
LogP1.05
Rot. Bonds1

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

2-amino-5-bromo-4-(difluoromethyl)-1H-pyrimidin-6-one (PubChem CID 136601925) has the molecular formula C5H4BrF2N3O and a molecular weight of 240.01 g/mol. Its IUPAC name is 2-amino-5-bromo-4-(difluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-bromo-4-(difluoromethyl)-1H-pyrimidin-6-one
PubChem CID136601925
Molecular FormulaC5H4BrF2N3O
Molecular Weight240.01 g/mol
Exact Mass238.95
IUPAC Name2-amino-5-bromo-4-(difluoromethyl)-1H-pyrimidin-6-one
SMILESNc1nc(C(F)F)c(Br)c(=O)[nH]1
InChIInChI=1S/C5H4BrF2N3O/c6-1-2(3(7)8)10-5(9)11-4(1)12/h3H,(H3,9,10,11,12)
InChIKeyCDXPVBHXISCXKJ-UHFFFAOYSA-N
XLogP1.05
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.01
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-5-bromo-6-methyl-4-pyrimidinol
CID 135415622
2-Amino-5-bromo-6-(trifluoromethyl)-4(3H)-pyrimidinone
CID 135480620
2-amino-5-bromo-4-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one
CID 137079387
5-bromo-4-(difluoromethyl)-2-(dimethylamino)-1H-pyrimidin-6-one
CID 137229799
5-Bromo-6-methyl-2-(trifluoromethyl)pyrimidin-4-ol
CID 137251005
2-amino-5-bromo-4-(bromomethyl)-1H-pyrimidin-6-one
CID 136935024

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-(difluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-bromo-4-(difluoromethyl)-1H-pyrimidin-6-one (CID 136601925) is 2-amino-5-bromo-4-(difluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-bromo-4-(difluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-bromo-4-(difluoromethyl)-1H-pyrimidin-6-one is Nc1nc(C(F)F)c(Br)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-bromo-4-(difluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is CDXPVBHXISCXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrF2N3O/c6-1-2(3(7)8)10-5(9)11-4(1)12/h3H,(H3,9,10,11,12).
What are the key properties of 2-amino-5-bromo-4-(difluoromethyl)-1H-pyrimidin-6-one?
2-amino-5-bromo-4-(difluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 240.01 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-4-(difluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136601925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).