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

C10H10BrN3OS — CID 66308288

IUPAC5-bromo-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one
SMILESCCc1nc(Cn2cncc(Br)c2=O)cs1
InChIInChI=1S/C10H10BrN3OS/c1-2-9-13-7(5-16-9)4-14-6-12-3-8(11)10(14)15/h3,5-6H,2,4H2,1H3
InChIKeyXUABENOSTUCYSV-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.07
Rot. Bonds3

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

5-bromo-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one (PubChem CID 66308288) has the molecular formula C10H10BrN3OS and a molecular weight of 300.18 g/mol. Its IUPAC name is 5-bromo-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one
PubChem CID66308288
Molecular FormulaC10H10BrN3OS
Molecular Weight300.18 g/mol
Exact Mass298.97
IUPAC Name5-bromo-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one
SMILESCCc1nc(Cn2cncc(Br)c2=O)cs1
InChIInChI=1S/C10H10BrN3OS/c1-2-9-13-7(5-16-9)4-14-6-12-3-8(11)10(14)15/h3,5-6H,2,4H2,1H3
InChIKeyXUABENOSTUCYSV-UHFFFAOYSA-N
XLogP2.07
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one (CID 66308288) is 5-bromo-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one is CCc1nc(Cn2cncc(Br)c2=O)cs1.
What is the InChIKey of 5-bromo-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one?
The InChIKey is XUABENOSTUCYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3OS/c1-2-9-13-7(5-16-9)4-14-6-12-3-8(11)10(14)15/h3,5-6H,2,4H2,1H3.
What are the key properties of 5-bromo-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one?
5-bromo-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one has a molecular weight of 300.18 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 66308288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).