2-(3-bromothiophen-2-yl)-4,5-dimethyl-1H-pyrimidin-6-one

C10H9BrN2OS — CID 136989025

IUPAC2-(3-bromothiophen-2-yl)-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2sccc2Br)[nH]c(=O)c1C
InChIInChI=1S/C10H9BrN2OS/c1-5-6(2)12-9(13-10(5)14)8-7(11)3-4-15-8/h3-4H,1-2H3,(H,12,13,14)
InChIKeyBGJZZSJPCJLMFU-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.88
Rot. Bonds1

About 2-(3-bromothiophen-2-yl)-4,5-dimethyl-1H-pyrimidin-6-one

2-(3-bromothiophen-2-yl)-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 136989025) has the molecular formula C10H9BrN2OS and a molecular weight of 285.17 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID136989025
Molecular FormulaC10H9BrN2OS
Molecular Weight285.17 g/mol
Exact Mass283.96
IUPAC Name2-(3-bromothiophen-2-yl)-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2sccc2Br)[nH]c(=O)c1C
InChIInChI=1S/C10H9BrN2OS/c1-5-6(2)12-9(13-10(5)14)8-7(11)3-4-15-8/h3-4H,1-2H3,(H,12,13,14)
InChIKeyBGJZZSJPCJLMFU-UHFFFAOYSA-N
XLogP2.88
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-2-(thiophen-2-YL)pyrimidin-4-OL
CID 135418928
2-(5-Fluorothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-ol
CID 136961118
6-[(4-Bromothiophen-2-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861117
2-(5-ethylthiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136228711
5-fluoro-4-methyl-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one
CID 136228791
5-fluoro-4-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one
CID 136228795
5-fluoro-4-methyl-2-(5-methylthiophen-2-yl)-1H-pyrimidin-6-one
CID 136228807
2-(5-bromothiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136228902
2-(4-bromothiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136228903
2-(4,5-dibromothiophen-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136683078
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-bromothiophen-2-yl)-4,5-dimethyl-1H-pyrimidin-6-one (CID 136989025) is 2-(3-bromothiophen-2-yl)-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-4,5-dimethyl-1H-pyrimidin-6-one is Cc1nc(-c2sccc2Br)[nH]c(=O)c1C.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is BGJZZSJPCJLMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2OS/c1-5-6(2)12-9(13-10(5)14)8-7(11)3-4-15-8/h3-4H,1-2H3,(H,12,13,14).
What are the key properties of 2-(3-bromothiophen-2-yl)-4,5-dimethyl-1H-pyrimidin-6-one?
2-(3-bromothiophen-2-yl)-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 285.17 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136989025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).