2-(4,5-dibromothiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one

C9H5Br2FN2OS — CID 136683078

IUPAC2-(4,5-dibromothiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2cc(Br)c(Br)s2)[nH]c(=O)c1F
InChIInChI=1S/C9H5Br2FN2OS/c1-3-6(12)9(15)14-8(13-3)5-2-4(10)7(11)16-5/h2H,1H3,(H,13,14,15)
InChIKeyDUWDHEGNQXYVKK-UHFFFAOYSA-N
MW368.03 g/mol
LogP3.47
Rot. Bonds1

About 2-(4,5-dibromothiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one

2-(4,5-dibromothiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one (PubChem CID 136683078) has the molecular formula C9H5Br2FN2OS and a molecular weight of 368.03 g/mol. Its IUPAC name is 2-(4,5-dibromothiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4,5-dibromothiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
PubChem CID136683078
Molecular FormulaC9H5Br2FN2OS
Molecular Weight368.03 g/mol
Exact Mass365.85
IUPAC Name2-(4,5-dibromothiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2cc(Br)c(Br)s2)[nH]c(=O)c1F
InChIInChI=1S/C9H5Br2FN2OS/c1-3-6(12)9(15)14-8(13-3)5-2-4(10)7(11)16-5/h2H,1H3,(H,13,14,15)
InChIKeyDUWDHEGNQXYVKK-UHFFFAOYSA-N
XLogP3.47
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.03
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromothiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4,5-dibromothiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one (CID 136683078) is 2-(4,5-dibromothiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4,5-dibromothiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4,5-dibromothiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one is Cc1nc(-c2cc(Br)c(Br)s2)[nH]c(=O)c1F.
What is the InChIKey of 2-(4,5-dibromothiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The InChIKey is DUWDHEGNQXYVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2FN2OS/c1-3-6(12)9(15)14-8(13-3)5-2-4(10)7(11)16-5/h2H,1H3,(H,13,14,15).
What are the key properties of 2-(4,5-dibromothiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
2-(4,5-dibromothiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one has a molecular weight of 368.03 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dibromothiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136683078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).