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

C10H9BrN2O2S — CID 63611449

IUPAC2-(4-bromothiophen-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(-c2cc(Br)cs2)[nH]c1=O
InChIInChI=1S/C10H9BrN2O2S/c1-2-6-9(14)12-8(13-10(6)15)7-3-5(11)4-16-7/h3-4H,2H2,1H3,(H2,12,13,14,15)
InChIKeyIGDNIASZOVBFPP-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.53
Rot. Bonds2

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

2-(4-bromothiophen-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 63611449) has the molecular formula C10H9BrN2O2S and a molecular weight of 301.17 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID63611449
Molecular FormulaC10H9BrN2O2S
Molecular Weight301.17 g/mol
Exact Mass299.96
IUPAC Name2-(4-bromothiophen-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(-c2cc(Br)cs2)[nH]c1=O
InChIInChI=1S/C10H9BrN2O2S/c1-2-6-9(14)12-8(13-10(6)15)7-3-5(11)4-16-7/h3-4H,2H2,1H3,(H2,12,13,14,15)
InChIKeyIGDNIASZOVBFPP-UHFFFAOYSA-N
XLogP2.53
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromothiophen-2-yl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79430473
2-(4-bromothiophen-2-yl)-5-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79431648
2-(4-bromothiophen-2-yl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79435646
2-(4-bromothiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136228903
2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136683079
2-(3-bromothiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136989033
4-hydroxy-2-thiophen-2-yl-1H-pyrimidin-6-one
CID 12231056
4-hydroxy-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one
CID 63612935
4-hydroxy-5-prop-2-enyl-2-thiophen-2-yl-1H-pyrimidin-6-one
CID 67151975
5-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one
CID 70567641
5-Ethyl-6-methyl-2-(thiophen-2-yl)pyrimidin-4(3H)-one
CID 135996598
2-(5-Bromothiophen-2-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136209888

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-bromothiophen-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (CID 63611449) is 2-(4-bromothiophen-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is CCc1c(O)nc(-c2cc(Br)cs2)[nH]c1=O.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is IGDNIASZOVBFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2S/c1-2-6-9(14)12-8(13-10(6)15)7-3-5(11)4-16-7/h3-4H,2H2,1H3,(H2,12,13,14,15).
What are the key properties of 2-(4-bromothiophen-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
2-(4-bromothiophen-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 301.17 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 63611449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).