5-bromo-2-methyl-3-(thiophen-2-ylmethyl)pyrimidin-4-one

C10H9BrN2OS — CID 66310513

IUPAC5-bromo-2-methyl-3-(thiophen-2-ylmethyl)pyrimidin-4-one
SMILESCc1ncc(Br)c(=O)n1Cc1cccs1
InChIInChI=1S/C10H9BrN2OS/c1-7-12-5-9(11)10(14)13(7)6-8-3-2-4-15-8/h2-5H,6H2,1H3
InChIKeyRYSAWKYZDLVEGR-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.42
Rot. Bonds2

About 5-bromo-2-methyl-3-(thiophen-2-ylmethyl)pyrimidin-4-one

5-bromo-2-methyl-3-(thiophen-2-ylmethyl)pyrimidin-4-one (PubChem CID 66310513) has the molecular formula C10H9BrN2OS and a molecular weight of 285.17 g/mol. Its IUPAC name is 5-bromo-2-methyl-3-(thiophen-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-2-methyl-3-(thiophen-2-ylmethyl)pyrimidin-4-one
PubChem CID66310513
Molecular FormulaC10H9BrN2OS
Molecular Weight285.17 g/mol
Exact Mass283.96
IUPAC Name5-bromo-2-methyl-3-(thiophen-2-ylmethyl)pyrimidin-4-one
SMILESCc1ncc(Br)c(=O)n1Cc1cccs1
InChIInChI=1S/C10H9BrN2OS/c1-7-12-5-9(11)10(14)13(7)6-8-3-2-4-15-8/h2-5H,6H2,1H3
InChIKeyRYSAWKYZDLVEGR-UHFFFAOYSA-N
XLogP2.42
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-aminophenyl)methyl]-5-bromo-2-methylpyrimidin-4-one
CID 66310702
5-bromo-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylpyrimidin-4-one
CID 66309234
(5-bromo-2-methyl-6-oxopyrimidin-1-yl)methyl-trifluoroboranuide
CID 66307791
3-[2-(2-aminophenyl)ethyl]-5-bromo-2-methylpyrimidin-4-one
CID 66309851
3-[(3-amino-4-methoxyphenyl)methyl]-5-bromo-2-methylpyrimidin-4-one
CID 66308369
5-bromo-3-[2-(2-ethoxyphenoxy)ethyl]-2-methylpyrimidin-4-one
CID 66310947
tert-butyl 2-(5-bromo-6-oxo-2-thiophen-2-ylpyrimidin-1-yl)acetate
CID 11187859
3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)propanamide
CID 66310297
5-bromo-3-[2-(tert-butylamino)ethyl]-2-methylpyrimidin-4-one
CID 66310310
3-[(5-bromo-2-methyl-6-oxopyrimidin-1-yl)methyl]-4-methoxybenzaldehyde
CID 66307777
6-methyl-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3232712
5-bromo-3-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-one
CID 66310934

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-3-(thiophen-2-ylmethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-2-methyl-3-(thiophen-2-ylmethyl)pyrimidin-4-one (CID 66310513) is 5-bromo-2-methyl-3-(thiophen-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-2-methyl-3-(thiophen-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-2-methyl-3-(thiophen-2-ylmethyl)pyrimidin-4-one is Cc1ncc(Br)c(=O)n1Cc1cccs1.
What is the InChIKey of 5-bromo-2-methyl-3-(thiophen-2-ylmethyl)pyrimidin-4-one?
The InChIKey is RYSAWKYZDLVEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2OS/c1-7-12-5-9(11)10(14)13(7)6-8-3-2-4-15-8/h2-5H,6H2,1H3.
What are the key properties of 5-bromo-2-methyl-3-(thiophen-2-ylmethyl)pyrimidin-4-one?
5-bromo-2-methyl-3-(thiophen-2-ylmethyl)pyrimidin-4-one has a molecular weight of 285.17 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-3-(thiophen-2-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 66310513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).