5-bromo-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-4-one

C9H7BrF2N4O — CID 66307888

IUPAC5-bromo-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-4-one
SMILESO=c1c(Br)cncn1Cc1nccn1C(F)F
InChIInChI=1S/C9H7BrF2N4O/c10-6-3-13-5-15(8(6)17)4-7-14-1-2-16(7)9(11)12/h1-3,5,9H,4H2
InChIKeySIZKZCCZRYTWDE-UHFFFAOYSA-N
MW305.08 g/mol
LogP1.65
Rot. Bonds3

About 5-bromo-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-4-one

5-bromo-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-4-one (PubChem CID 66307888) has the molecular formula C9H7BrF2N4O and a molecular weight of 305.08 g/mol. Its IUPAC name is 5-bromo-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-4-one
PubChem CID66307888
Molecular FormulaC9H7BrF2N4O
Molecular Weight305.08 g/mol
Exact Mass303.98
IUPAC Name5-bromo-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-4-one
SMILESO=c1c(Br)cncn1Cc1nccn1C(F)F
InChIInChI=1S/C9H7BrF2N4O/c10-6-3-13-5-15(8(6)17)4-7-14-1-2-16(7)9(11)12/h1-3,5,9H,4H2
InChIKeySIZKZCCZRYTWDE-UHFFFAOYSA-N
XLogP1.65
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.08
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-4-one (CID 66307888) is 5-bromo-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-4-one is O=c1c(Br)cncn1Cc1nccn1C(F)F.
What is the InChIKey of 5-bromo-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-4-one?
The InChIKey is SIZKZCCZRYTWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2N4O/c10-6-3-13-5-15(8(6)17)4-7-14-1-2-16(7)9(11)12/h1-3,5,9H,4H2.
What are the key properties of 5-bromo-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-4-one?
5-bromo-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-4-one has a molecular weight of 305.08 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 66307888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).