5-bromo-6-chloro-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-one

C10H9BrClN3OS — CID 114583715

IUPAC5-bromo-6-chloro-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-one
SMILESCc1ncsc1CCn1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C10H9BrClN3OS/c1-6-7(17-5-14-6)2-3-15-4-13-9(12)8(11)10(15)16/h4-5H,2-3H2,1H3
InChIKeyFGIIGEJVSMTZMP-UHFFFAOYSA-N
MW334.63 g/mol
LogP2.67
Rot. Bonds3

About 5-bromo-6-chloro-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-one

5-bromo-6-chloro-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-one (PubChem CID 114583715) has the molecular formula C10H9BrClN3OS and a molecular weight of 334.63 g/mol. Its IUPAC name is 5-bromo-6-chloro-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-chloro-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-one
PubChem CID114583715
Molecular FormulaC10H9BrClN3OS
Molecular Weight334.63 g/mol
Exact Mass332.93
IUPAC Name5-bromo-6-chloro-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-one
SMILESCc1ncsc1CCn1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C10H9BrClN3OS/c1-6-7(17-5-14-6)2-3-15-4-13-9(12)8(11)10(15)16/h4-5H,2-3H2,1H3
InChIKeyFGIIGEJVSMTZMP-UHFFFAOYSA-N
XLogP2.67
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.63
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazin-2-one
CID 114561487
5-bromo-6-chloro-3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-one
CID 114583717
5-bromo-6-chloro-3-(1,3-thiazol-5-ylmethyl)pyrimidin-4-one
CID 114583726
5-bromo-3-(2-bromoethyl)-6-methylpyrimidin-4-one
CID 66310232
4-methyl-5-(2-pyrrol-1-ylethyl)-1,3-thiazole
CID 63812266
5-bromo-6-chloro-3-[2-(2-nitrophenyl)ethyl]pyrimidin-4-one
CID 114583513
3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-(trifluoromethyl)imidazole-4-carbonitrile
CID 126823873
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2,4-dione
CID 130881330
5-(2-bromoethyl)-4-methyl-1,3-thiazole;hydrobromide
CID 70095117
5-bromo-3-[(3-bromothiophen-2-yl)methyl]-6-methylpyrimidin-4-one
CID 66310030
5-bromo-6-chloro-3-(thiophen-3-ylmethyl)pyrimidin-4-one
CID 114583667
5-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2,3-dione
CID 62071339

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-6-chloro-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-one (CID 114583715) is 5-bromo-6-chloro-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-chloro-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-chloro-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-one is Cc1ncsc1CCn1cnc(Cl)c(Br)c1=O.
What is the InChIKey of 5-bromo-6-chloro-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-one?
The InChIKey is FGIIGEJVSMTZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3OS/c1-6-7(17-5-14-6)2-3-15-4-13-9(12)8(11)10(15)16/h4-5H,2-3H2,1H3.
What are the key properties of 5-bromo-6-chloro-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-one?
5-bromo-6-chloro-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-one has a molecular weight of 334.63 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 114583715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).