5-bromo-2-(4-bromothiophen-2-yl)-1H-pyrimidin-6-one

C8H4Br2N2OS — CID 66315118

IUPAC5-bromo-2-(4-bromothiophen-2-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cc(Br)cs2)ncc1Br
InChIInChI=1S/C8H4Br2N2OS/c9-4-1-6(14-3-4)7-11-2-5(10)8(13)12-7/h1-3H,(H,11,12,13)
InChIKeyKMJFZEJNJWLPTI-UHFFFAOYSA-N
MW336.01 g/mol
LogP3.02
Rot. Bonds1

About 5-bromo-2-(4-bromothiophen-2-yl)-1H-pyrimidin-6-one

5-bromo-2-(4-bromothiophen-2-yl)-1H-pyrimidin-6-one (PubChem CID 66315118) has the molecular formula C8H4Br2N2OS and a molecular weight of 336.01 g/mol. Its IUPAC name is 5-bromo-2-(4-bromothiophen-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(4-bromothiophen-2-yl)-1H-pyrimidin-6-one
PubChem CID66315118
Molecular FormulaC8H4Br2N2OS
Molecular Weight336.01 g/mol
Exact Mass333.84
IUPAC Name5-bromo-2-(4-bromothiophen-2-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cc(Br)cs2)ncc1Br
InChIInChI=1S/C8H4Br2N2OS/c9-4-1-6(14-3-4)7-11-2-5(10)8(13)12-7/h1-3H,(H,11,12,13)
InChIKeyKMJFZEJNJWLPTI-UHFFFAOYSA-N
XLogP3.02
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.01
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-bromothiophen-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(4-bromothiophen-2-yl)-1H-pyrimidin-6-one (CID 66315118) is 5-bromo-2-(4-bromothiophen-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(4-bromothiophen-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(4-bromothiophen-2-yl)-1H-pyrimidin-6-one is O=c1[nH]c(-c2cc(Br)cs2)ncc1Br.
What is the InChIKey of 5-bromo-2-(4-bromothiophen-2-yl)-1H-pyrimidin-6-one?
The InChIKey is KMJFZEJNJWLPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2N2OS/c9-4-1-6(14-3-4)7-11-2-5(10)8(13)12-7/h1-3H,(H,11,12,13).
What are the key properties of 5-bromo-2-(4-bromothiophen-2-yl)-1H-pyrimidin-6-one?
5-bromo-2-(4-bromothiophen-2-yl)-1H-pyrimidin-6-one has a molecular weight of 336.01 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 5-bromo-2-(4-bromothiophen-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 66315118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).