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

C7H8BrF2N3O — CID 137229799

IUPAC5-bromo-4-(difluoromethyl)-2-(dimethylamino)-1H-pyrimidin-6-one
SMILESCN(C)c1nc(C(F)F)c(Br)c(=O)[nH]1
InChIInChI=1S/C7H8BrF2N3O/c1-13(2)7-11-4(5(9)10)3(8)6(14)12-7/h5H,1-2H3,(H,11,12,14)
InChIKeyXLHCROPDKXWTIP-UHFFFAOYSA-N
MW268.06 g/mol
LogP1.54
Rot. Bonds2

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

5-bromo-4-(difluoromethyl)-2-(dimethylamino)-1H-pyrimidin-6-one (PubChem CID 137229799) has the molecular formula C7H8BrF2N3O and a molecular weight of 268.06 g/mol. Its IUPAC name is 5-bromo-4-(difluoromethyl)-2-(dimethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(difluoromethyl)-2-(dimethylamino)-1H-pyrimidin-6-one
PubChem CID137229799
Molecular FormulaC7H8BrF2N3O
Molecular Weight268.06 g/mol
Exact Mass266.98
IUPAC Name5-bromo-4-(difluoromethyl)-2-(dimethylamino)-1H-pyrimidin-6-one
SMILESCN(C)c1nc(C(F)F)c(Br)c(=O)[nH]1
InChIInChI=1S/C7H8BrF2N3O/c1-13(2)7-11-4(5(9)10)3(8)6(14)12-7/h5H,1-2H3,(H,11,12,14)
InChIKeyXLHCROPDKXWTIP-UHFFFAOYSA-N
XLogP1.54
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.06
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(difluoromethyl)-2-(dimethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(difluoromethyl)-2-(dimethylamino)-1H-pyrimidin-6-one (CID 137229799) is 5-bromo-4-(difluoromethyl)-2-(dimethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(difluoromethyl)-2-(dimethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(difluoromethyl)-2-(dimethylamino)-1H-pyrimidin-6-one is CN(C)c1nc(C(F)F)c(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-4-(difluoromethyl)-2-(dimethylamino)-1H-pyrimidin-6-one?
The InChIKey is XLHCROPDKXWTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrF2N3O/c1-13(2)7-11-4(5(9)10)3(8)6(14)12-7/h5H,1-2H3,(H,11,12,14).
What are the key properties of 5-bromo-4-(difluoromethyl)-2-(dimethylamino)-1H-pyrimidin-6-one?
5-bromo-4-(difluoromethyl)-2-(dimethylamino)-1H-pyrimidin-6-one has a molecular weight of 268.06 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(difluoromethyl)-2-(dimethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 137229799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).