6-chloro-5-fluoro-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione

C10H9ClFN3O2S — CID 114139816

IUPAC6-chloro-5-fluoro-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione
SMILESCc1nc(CCn2c(=O)[nH]c(Cl)c(F)c2=O)cs1
InChIInChI=1S/C10H9ClFN3O2S/c1-5-13-6(4-18-5)2-3-15-9(16)7(12)8(11)14-10(15)17/h4H,2-3H2,1H3,(H,14,17)
InChIKeyCFXMBVIMUXXBES-UHFFFAOYSA-N
MW289.72 g/mol
LogP1.34
Rot. Bonds3

About 6-chloro-5-fluoro-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione

6-chloro-5-fluoro-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 114139816) has the molecular formula C10H9ClFN3O2S and a molecular weight of 289.72 g/mol. Its IUPAC name is 6-chloro-5-fluoro-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-5-fluoro-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione
PubChem CID114139816
Molecular FormulaC10H9ClFN3O2S
Molecular Weight289.72 g/mol
Exact Mass289.01
IUPAC Name6-chloro-5-fluoro-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione
SMILESCc1nc(CCn2c(=O)[nH]c(Cl)c(F)c2=O)cs1
InChIInChI=1S/C10H9ClFN3O2S/c1-5-13-6(4-18-5)2-3-15-9(16)7(12)8(11)14-10(15)17/h4H,2-3H2,1H3,(H,14,17)
InChIKeyCFXMBVIMUXXBES-UHFFFAOYSA-N
XLogP1.34
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-5-fluoro-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

1-Methyl-5-(4-methyl-2-thiazolyl)-2,4(1H,3H)-pyrimidinedione
CID 47002148
1-[3-[4-(Chloromethyl)-1,3-thiazol-2-yl]propyl]-5-fluoropyrimidine-2,4-dione
CID 63556604
1-[2-[4-(Chloromethyl)-1,3-thiazol-2-yl]ethyl]-5-fluoropyrimidine-2,4-dione
CID 63556798
1-[4-[4-(Chloromethyl)-1,3-thiazol-2-yl]butyl]-5-fluoropyrimidine-2,4-dione
CID 63556800
6-chloro-5-fluoro-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidine-2,4-dione
CID 104371780
6-chloro-5-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrimidine-2,4-dione
CID 104371801
6-chloro-5-fluoro-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrimidine-2,4-dione
CID 104372482
6-chloro-5-fluoro-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione
CID 104372569
5-Fluoro-6-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione
CID 112599942
5-Fluoro-6-hydroxy-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-dione
CID 112599973
5-Fluoro-6-hydroxy-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione
CID 112600592
5-Fluoro-6-hydroxy-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-dione
CID 112600708

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-5-fluoro-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione (CID 114139816) is 6-chloro-5-fluoro-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-5-fluoro-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-5-fluoro-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione is Cc1nc(CCn2c(=O)[nH]c(Cl)c(F)c2=O)cs1.
What is the InChIKey of 6-chloro-5-fluoro-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is CFXMBVIMUXXBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O2S/c1-5-13-6(4-18-5)2-3-15-9(16)7(12)8(11)14-10(15)17/h4H,2-3H2,1H3,(H,14,17).
What are the key properties of 6-chloro-5-fluoro-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione?
6-chloro-5-fluoro-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 289.72 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 114139816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).