ethyl 2-(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)sulfanylacetate

C14H15N3O3S — CID 1470716

IUPACethyl 2-(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nc(-c2ccccn2)ncc1OC
InChIInChI=1S/C14H15N3O3S/c1-3-20-12(18)9-21-14-11(19-2)8-16-13(17-14)10-6-4-5-7-15-10/h4-8H,3,9H2,1-2H3
InChIKeyMAWBIHVFYHSRBI-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.20
Rot. Bonds6

About ethyl 2-(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)sulfanylacetate

ethyl 2-(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)sulfanylacetate (PubChem CID 1470716) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is ethyl 2-(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)sulfanylacetate
PubChem CID1470716
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Nameethyl 2-(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nc(-c2ccccn2)ncc1OC
InChIInChI=1S/C14H15N3O3S/c1-3-20-12(18)9-21-14-11(19-2)8-16-13(17-14)10-6-4-5-7-15-10/h4-8H,3,9H2,1-2H3
InChIKeyMAWBIHVFYHSRBI-UHFFFAOYSA-N
XLogP2.20
TPSA74.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)sulfanylacetate?
The IUPAC name of ethyl 2-(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)sulfanylacetate (CID 1470716) is ethyl 2-(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)sulfanylacetate?
The canonical SMILES for ethyl 2-(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)sulfanylacetate is CCOC(=O)CSc1nc(-c2ccccn2)ncc1OC.
What is the InChIKey of ethyl 2-(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)sulfanylacetate?
The InChIKey is MAWBIHVFYHSRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-3-20-12(18)9-21-14-11(19-2)8-16-13(17-14)10-6-4-5-7-15-10/h4-8H,3,9H2,1-2H3.
What are the key properties of ethyl 2-(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)sulfanylacetate?
ethyl 2-(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)sulfanylacetate has a molecular weight of 305.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)sulfanylacetate is sourced from PubChem (CID 1470716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).