5-bromo-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one

C9H7BrN2OS — CID 66312965

IUPAC5-bromo-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one
SMILESCc1ccsc1-c1ncc(Br)c(=O)[nH]1
InChIInChI=1S/C9H7BrN2OS/c1-5-2-3-14-7(5)8-11-4-6(10)9(13)12-8/h2-4H,1H3,(H,11,12,13)
InChIKeyQEEXUTICPITXLG-UHFFFAOYSA-N
MW271.14 g/mol
LogP2.57
Rot. Bonds1

About 5-bromo-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one

5-bromo-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one (PubChem CID 66312965) has the molecular formula C9H7BrN2OS and a molecular weight of 271.14 g/mol. Its IUPAC name is 5-bromo-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one
PubChem CID66312965
Molecular FormulaC9H7BrN2OS
Molecular Weight271.14 g/mol
Exact Mass269.95
IUPAC Name5-bromo-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one
SMILESCc1ccsc1-c1ncc(Br)c(=O)[nH]1
InChIInChI=1S/C9H7BrN2OS/c1-5-2-3-14-7(5)8-11-4-6(10)9(13)12-8/h2-4H,1H3,(H,11,12,13)
InChIKeyQEEXUTICPITXLG-UHFFFAOYSA-N
XLogP2.57
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-4-methyl-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one
CID 136228791
2-(Thiophen-2-yl)pyrimidin-4-ol
CID 14685603
5-Chloro-2-(thiophen-2-yl)pyrimidin-4-ol
CID 58169528
4-hydroxy-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one
CID 63612935
5-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one
CID 70567641
2-(2-methylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 70623095
2-(2-methylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 70623240
2-(2-ethylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 70623467
2-(2-ethylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 70623852
3-methyl-N-[3-(oxomethylidene)-4H-pyridin-2-yl]thiophene-2-carboxamide
CID 88367548
4-amino-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one
CID 136406609
(7-Bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methyl-[(3-methylthiophen-2-yl)methyl]azanium
CID 9433932

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one (CID 66312965) is 5-bromo-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one is Cc1ccsc1-c1ncc(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one?
The InChIKey is QEEXUTICPITXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2OS/c1-5-2-3-14-7(5)8-11-4-6(10)9(13)12-8/h2-4H,1H3,(H,11,12,13).
What are the key properties of 5-bromo-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one?
5-bromo-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one has a molecular weight of 271.14 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 66312965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).