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

C10H11N3O3S — CID 146103910

IUPAC5-methoxy-3-[(3-methoxy-1,2-thiazol-4-yl)methyl]pyrimidin-4-one
SMILESCOc1nscc1Cn1cncc(OC)c1=O
InChIInChI=1S/C10H11N3O3S/c1-15-8-3-11-6-13(10(8)14)4-7-5-17-12-9(7)16-2/h3,5-6H,4H2,1-2H3
InChIKeyYRFNAACURYOSMI-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.77
Rot. Bonds4

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

5-methoxy-3-[(3-methoxy-1,2-thiazol-4-yl)methyl]pyrimidin-4-one (PubChem CID 146103910) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 5-methoxy-3-[(3-methoxy-1,2-thiazol-4-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-methoxy-3-[(3-methoxy-1,2-thiazol-4-yl)methyl]pyrimidin-4-one
PubChem CID146103910
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name5-methoxy-3-[(3-methoxy-1,2-thiazol-4-yl)methyl]pyrimidin-4-one
SMILESCOc1nscc1Cn1cncc(OC)c1=O
InChIInChI=1S/C10H11N3O3S/c1-15-8-3-11-6-13(10(8)14)4-7-5-17-12-9(7)16-2/h3,5-6H,4H2,1-2H3
InChIKeyYRFNAACURYOSMI-UHFFFAOYSA-N
XLogP0.77
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[(3-methoxy-1,2-thiazol-4-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5-methoxy-3-[(3-methoxy-1,2-thiazol-4-yl)methyl]pyrimidin-4-one (CID 146103910) is 5-methoxy-3-[(3-methoxy-1,2-thiazol-4-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-methoxy-3-[(3-methoxy-1,2-thiazol-4-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-methoxy-3-[(3-methoxy-1,2-thiazol-4-yl)methyl]pyrimidin-4-one is COc1nscc1Cn1cncc(OC)c1=O.
What is the InChIKey of 5-methoxy-3-[(3-methoxy-1,2-thiazol-4-yl)methyl]pyrimidin-4-one?
The InChIKey is YRFNAACURYOSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-15-8-3-11-6-13(10(8)14)4-7-5-17-12-9(7)16-2/h3,5-6H,4H2,1-2H3.
What are the key properties of 5-methoxy-3-[(3-methoxy-1,2-thiazol-4-yl)methyl]pyrimidin-4-one?
5-methoxy-3-[(3-methoxy-1,2-thiazol-4-yl)methyl]pyrimidin-4-one has a molecular weight of 253.28 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[(3-methoxy-1,2-thiazol-4-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 146103910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).