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

C11H13N3O2S — CID 79375942

IUPAC2-methoxy-6-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1Cc1cnc(C)s1
InChIInChI=1S/C11H13N3O2S/c1-7-4-10(15)14(11(13-7)16-3)6-9-5-12-8(2)17-9/h4-5H,6H2,1-3H3
InChIKeyYYLCQEPFPGPLFD-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.37
Rot. Bonds3

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

2-methoxy-6-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-one (PubChem CID 79375942) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-methoxy-6-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-6-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-one
PubChem CID79375942
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name2-methoxy-6-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1Cc1cnc(C)s1
InChIInChI=1S/C11H13N3O2S/c1-7-4-10(15)14(11(13-7)16-3)6-9-5-12-8(2)17-9/h4-5H,6H2,1-3H3
InChIKeyYYLCQEPFPGPLFD-UHFFFAOYSA-N
XLogP1.37
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-one?
The IUPAC name of 2-methoxy-6-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-one (CID 79375942) is 2-methoxy-6-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 2-methoxy-6-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 2-methoxy-6-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-one is COc1nc(C)cc(=O)n1Cc1cnc(C)s1.
What is the InChIKey of 2-methoxy-6-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-one?
The InChIKey is YYLCQEPFPGPLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-7-4-10(15)14(11(13-7)16-3)6-9-5-12-8(2)17-9/h4-5H,6H2,1-3H3.
What are the key properties of 2-methoxy-6-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-one?
2-methoxy-6-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-one has a molecular weight of 251.31 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 79375942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).