5-bromo-6-methyl-3-(2-propylsulfonylethyl)pyrimidin-4-one

C10H15BrN2O3S — CID 106728588

IUPAC5-bromo-6-methyl-3-(2-propylsulfonylethyl)pyrimidin-4-one
SMILESCCCS(=O)(=O)CCn1cnc(C)c(Br)c1=O
InChIInChI=1S/C10H15BrN2O3S/c1-3-5-17(15,16)6-4-13-7-12-8(2)9(11)10(13)14/h7H,3-6H2,1-2H3
InChIKeyBCEZPALKYBQWGI-UHFFFAOYSA-N
MW323.21 g/mol
LogP1.14
Rot. Bonds5

About 5-bromo-6-methyl-3-(2-propylsulfonylethyl)pyrimidin-4-one

5-bromo-6-methyl-3-(2-propylsulfonylethyl)pyrimidin-4-one (PubChem CID 106728588) has the molecular formula C10H15BrN2O3S and a molecular weight of 323.21 g/mol. Its IUPAC name is 5-bromo-6-methyl-3-(2-propylsulfonylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-methyl-3-(2-propylsulfonylethyl)pyrimidin-4-one
PubChem CID106728588
Molecular FormulaC10H15BrN2O3S
Molecular Weight323.21 g/mol
Exact Mass322.00
IUPAC Name5-bromo-6-methyl-3-(2-propylsulfonylethyl)pyrimidin-4-one
SMILESCCCS(=O)(=O)CCn1cnc(C)c(Br)c1=O
InChIInChI=1S/C10H15BrN2O3S/c1-3-5-17(15,16)6-4-13-7-12-8(2)9(11)10(13)14/h7H,3-6H2,1-2H3
InChIKeyBCEZPALKYBQWGI-UHFFFAOYSA-N
XLogP1.14
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Bromo-6-methyl-3-[2-(2-methylsulfonylethylamino)ethyl]pyrimidin-4-one
CID 66307943
5-Bromo-3-(3-ethylsulfonylpropyl)-6-methylpyrimidin-4-one
CID 66308538
5-Bromo-3-(2-methylsulfonylethyl)pyrimidin-4-one
CID 66309131
5-Bromo-3-[2-(ethanesulfonyl)ethyl]-3,4-dihydropyrimidin-4-one
CID 66309139
5-Bromo-3-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]-6-methylpyrimidin-4-one
CID 66309206
5-Bromo-3-(3-methylsulfonylpropyl)pyrimidin-4-one
CID 66309982
5-Bromo-3-(3-ethylsulfonylpropyl)pyrimidin-4-one
CID 66310193
5-Bromo-6-methyl-3-(3-methylsulfonylpropyl)pyrimidin-4-one
CID 66310454
5-Bromo-3-(2-ethylsulfonylethyl)-6-methylpyrimidin-4-one
CID 66310459
5-Bromo-3-(2-methanesulfonylethyl)-6-methyl-3,4-dihydropyrimidin-4-one
CID 66311098
5-Iodo-6-methyl-3-(3-methylsulfonylpropyl)pyrimidin-4-one
CID 66340428
3-(2-Ethylsulfonylethyl)-5-iodo-6-methylpyrimidin-4-one
CID 66340434

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-3-(2-propylsulfonylethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-6-methyl-3-(2-propylsulfonylethyl)pyrimidin-4-one (CID 106728588) is 5-bromo-6-methyl-3-(2-propylsulfonylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-methyl-3-(2-propylsulfonylethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-methyl-3-(2-propylsulfonylethyl)pyrimidin-4-one is CCCS(=O)(=O)CCn1cnc(C)c(Br)c1=O.
What is the InChIKey of 5-bromo-6-methyl-3-(2-propylsulfonylethyl)pyrimidin-4-one?
The InChIKey is BCEZPALKYBQWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O3S/c1-3-5-17(15,16)6-4-13-7-12-8(2)9(11)10(13)14/h7H,3-6H2,1-2H3.
What are the key properties of 5-bromo-6-methyl-3-(2-propylsulfonylethyl)pyrimidin-4-one?
5-bromo-6-methyl-3-(2-propylsulfonylethyl)pyrimidin-4-one has a molecular weight of 323.21 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-3-(2-propylsulfonylethyl)pyrimidin-4-one is sourced from PubChem (CID 106728588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).