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

C10H8Br2N2OS — CID 136683043

IUPAC2-(4,5-dibromothiophen-2-yl)-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2cc(Br)c(Br)s2)n1
InChIInChI=1S/C10H8Br2N2OS/c1-2-5-3-8(15)14-10(13-5)7-4-6(11)9(12)16-7/h3-4H,2H2,1H3,(H,13,14,15)
InChIKeyLHSJMUBUXCZKHD-UHFFFAOYSA-N
MW364.06 g/mol
LogP3.59
Rot. Bonds2

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

2-(4,5-dibromothiophen-2-yl)-4-ethyl-1H-pyrimidin-6-one (PubChem CID 136683043) has the molecular formula C10H8Br2N2OS and a molecular weight of 364.06 g/mol. Its IUPAC name is 2-(4,5-dibromothiophen-2-yl)-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4,5-dibromothiophen-2-yl)-4-ethyl-1H-pyrimidin-6-one
PubChem CID136683043
Molecular FormulaC10H8Br2N2OS
Molecular Weight364.06 g/mol
Exact Mass361.87
IUPAC Name2-(4,5-dibromothiophen-2-yl)-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2cc(Br)c(Br)s2)n1
InChIInChI=1S/C10H8Br2N2OS/c1-2-5-3-8(15)14-10(13-5)7-4-6(11)9(12)16-7/h3-4H,2H2,1H3,(H,13,14,15)
InChIKeyLHSJMUBUXCZKHD-UHFFFAOYSA-N
XLogP3.59
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.06
LogP ≤ 53.59
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)-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4,5-dibromothiophen-2-yl)-4-ethyl-1H-pyrimidin-6-one (CID 136683043) is 2-(4,5-dibromothiophen-2-yl)-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4,5-dibromothiophen-2-yl)-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4,5-dibromothiophen-2-yl)-4-ethyl-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-c2cc(Br)c(Br)s2)n1.
What is the InChIKey of 2-(4,5-dibromothiophen-2-yl)-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is LHSJMUBUXCZKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2N2OS/c1-2-5-3-8(15)14-10(13-5)7-4-6(11)9(12)16-7/h3-4H,2H2,1H3,(H,13,14,15).
What are the key properties of 2-(4,5-dibromothiophen-2-yl)-4-ethyl-1H-pyrimidin-6-one?
2-(4,5-dibromothiophen-2-yl)-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 364.06 g/mol, XLogP of 3.59, 2 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)-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136683043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).