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

C11H12ClN3OS — CID 114584493

IUPAC6-chloro-2-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-one
SMILESCCc1nc(Cl)cc(=O)n1Cc1cnc(C)s1
InChIInChI=1S/C11H12ClN3OS/c1-3-10-14-9(12)4-11(16)15(10)6-8-5-13-7(2)17-8/h4-5H,3,6H2,1-2H3
InChIKeyZSYQESXWYMLBTP-UHFFFAOYSA-N
MW269.76 g/mol
LogP2.27
Rot. Bonds3

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

6-chloro-2-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-one (PubChem CID 114584493) has the molecular formula C11H12ClN3OS and a molecular weight of 269.76 g/mol. Its IUPAC name is 6-chloro-2-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-one
PubChem CID114584493
Molecular FormulaC11H12ClN3OS
Molecular Weight269.76 g/mol
Exact Mass269.04
IUPAC Name6-chloro-2-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-one
SMILESCCc1nc(Cl)cc(=O)n1Cc1cnc(C)s1
InChIInChI=1S/C11H12ClN3OS/c1-3-10-14-9(12)4-11(16)15(10)6-8-5-13-7(2)17-8/h4-5H,3,6H2,1-2H3
InChIKeyZSYQESXWYMLBTP-UHFFFAOYSA-N
XLogP2.27
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-2-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-one (CID 114584493) is 6-chloro-2-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-one is CCc1nc(Cl)cc(=O)n1Cc1cnc(C)s1.
What is the InChIKey of 6-chloro-2-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-one?
The InChIKey is ZSYQESXWYMLBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3OS/c1-3-10-14-9(12)4-11(16)15(10)6-8-5-13-7(2)17-8/h4-5H,3,6H2,1-2H3.
What are the key properties of 6-chloro-2-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-one?
6-chloro-2-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-one has a molecular weight of 269.76 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 114584493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).