2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one

C10H8BrFN2OS — CID 136683079

IUPAC2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2cc(Br)c(C)s2)[nH]c(=O)c1F
InChIInChI=1S/C10H8BrFN2OS/c1-4-8(12)10(15)14-9(13-4)7-3-6(11)5(2)16-7/h3H,1-2H3,(H,13,14,15)
InChIKeySLXRPGZRNYVURO-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.02
Rot. Bonds1

About 2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one

2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one (PubChem CID 136683079) has the molecular formula C10H8BrFN2OS and a molecular weight of 303.16 g/mol. Its IUPAC name is 2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
PubChem CID136683079
Molecular FormulaC10H8BrFN2OS
Molecular Weight303.16 g/mol
Exact Mass301.95
IUPAC Name2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2cc(Br)c(C)s2)[nH]c(=O)c1F
InChIInChI=1S/C10H8BrFN2OS/c1-4-8(12)10(15)14-9(13-4)7-3-6(11)5(2)16-7/h3H,1-2H3,(H,13,14,15)
InChIKeySLXRPGZRNYVURO-UHFFFAOYSA-N
XLogP3.02
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one (CID 136683079) is 2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one is Cc1nc(-c2cc(Br)c(C)s2)[nH]c(=O)c1F.
What is the InChIKey of 2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The InChIKey is SLXRPGZRNYVURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2OS/c1-4-8(12)10(15)14-9(13-4)7-3-6(11)5(2)16-7/h3H,1-2H3,(H,13,14,15).
What are the key properties of 2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one has a molecular weight of 303.16 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136683079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).