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

C11H13N3O3S — CID 103240600

IUPAC5-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyrimidin-6-one
SMILESCOc1c(OCCc2scnc2C)nc[nH]c1=O
InChIInChI=1S/C11H13N3O3S/c1-7-8(18-6-14-7)3-4-17-11-9(16-2)10(15)12-5-13-11/h5-6H,3-4H2,1-2H3,(H,12,13,15)
InChIKeyUYFQMVFIXVDBIF-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.16
Rot. Bonds5

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

5-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyrimidin-6-one (PubChem CID 103240600) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 5-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyrimidin-6-one
PubChem CID103240600
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name5-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyrimidin-6-one
SMILESCOc1c(OCCc2scnc2C)nc[nH]c1=O
InChIInChI=1S/C11H13N3O3S/c1-7-8(18-6-14-7)3-4-17-11-9(16-2)10(15)12-5-13-11/h5-6H,3-4H2,1-2H3,(H,12,13,15)
InChIKeyUYFQMVFIXVDBIF-UHFFFAOYSA-N
XLogP1.16
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyrazin-2-one
CID 103240598
5-methoxy-4-(3-methylbutoxy)-1H-pyrimidin-6-one
CID 103240608
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
methyl 3-amino-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoate
CID 115935655
[1-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-4-yl]methanamine
CID 106777282
4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]quinazolin-7-amine
CID 65336420
5-[2-[(3-bromo-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole
CID 61373558
4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole
CID 11474127
5-methoxy-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114796589
4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyridazin-6-one
CID 103240603
3,5-difluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
CID 81282980
5-amino-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-1H-pyrimidin-6-one
CID 136975652

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyrimidin-6-one (CID 103240600) is 5-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyrimidin-6-one is COc1c(OCCc2scnc2C)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyrimidin-6-one?
The InChIKey is UYFQMVFIXVDBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-7-8(18-6-14-7)3-4-17-11-9(16-2)10(15)12-5-13-11/h5-6H,3-4H2,1-2H3,(H,12,13,15).
What are the key properties of 5-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyrimidin-6-one?
5-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyrimidin-6-one has a molecular weight of 267.31 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 103240600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).