N-(2,5-dimethoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide

C14H15N3O3S — CID 2083396

IUPACN-(2,5-dimethoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2ncccn2)c1
InChIInChI=1S/C14H15N3O3S/c1-19-10-4-5-12(20-2)11(8-10)17-13(18)9-21-14-15-6-3-7-16-14/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyATBDHWDDNUYISY-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.22
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide

N-(2,5-dimethoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 2083396) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID2083396
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC NameN-(2,5-dimethoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2ncccn2)c1
InChIInChI=1S/C14H15N3O3S/c1-19-10-4-5-12(20-2)11(8-10)17-13(18)9-21-14-15-6-3-7-16-14/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyATBDHWDDNUYISY-UHFFFAOYSA-N
XLogP2.22
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide (CID 2083396) is N-(2,5-dimethoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide is COc1ccc(OC)c(NC(=O)CSc2ncccn2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is ATBDHWDDNUYISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-19-10-4-5-12(20-2)11(8-10)17-13(18)9-21-14-15-6-3-7-16-14/h3-8H,9H2,1-2H3,(H,17,18).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(2,5-dimethoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 305.36 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 2083396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).