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

C15H17N3O3S — CID 3769681

IUPACethyl 2-(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)sulfanylpropanoate
SMILESCCOC(=O)C(C)Sc1nc(-c2ccccn2)ncc1OC
InChIInChI=1S/C15H17N3O3S/c1-4-21-15(19)10(2)22-14-12(20-3)9-17-13(18-14)11-7-5-6-8-16-11/h5-10H,4H2,1-3H3
InChIKeyUVIKNMFADQPIFM-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.59
Rot. Bonds6

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

ethyl 2-(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)sulfanylpropanoate (PubChem CID 3769681) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is ethyl 2-(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)sulfanylpropanoate.

Molecular Properties

Compound Nameethyl 2-(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)sulfanylpropanoate
PubChem CID3769681
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Nameethyl 2-(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)sulfanylpropanoate
SMILESCCOC(=O)C(C)Sc1nc(-c2ccccn2)ncc1OC
InChIInChI=1S/C15H17N3O3S/c1-4-21-15(19)10(2)22-14-12(20-3)9-17-13(18-14)11-7-5-6-8-16-11/h5-10H,4H2,1-3H3
InChIKeyUVIKNMFADQPIFM-UHFFFAOYSA-N
XLogP2.59
TPSA74.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.59
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)sulfanylpropanoate?
The IUPAC name of ethyl 2-(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)sulfanylpropanoate (CID 3769681) is ethyl 2-(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)sulfanylpropanoate.
What is the SMILES notation for ethyl 2-(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)sulfanylpropanoate?
The canonical SMILES for ethyl 2-(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)sulfanylpropanoate is CCOC(=O)C(C)Sc1nc(-c2ccccn2)ncc1OC.
What is the InChIKey of ethyl 2-(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)sulfanylpropanoate?
The InChIKey is UVIKNMFADQPIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-4-21-15(19)10(2)22-14-12(20-3)9-17-13(18-14)11-7-5-6-8-16-11/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 2-(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)sulfanylpropanoate?
ethyl 2-(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)sulfanylpropanoate has a molecular weight of 319.39 g/mol, XLogP of 2.59, 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)sulfanylpropanoate is sourced from PubChem (CID 3769681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).