N-(4,6-dimethylpyrimidin-2-yl)-2-methoxy-4-methylsulfanylbenzamide

C15H17N3O2S — CID 884181

IUPACN-(4,6-dimethylpyrimidin-2-yl)-2-methoxy-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1nc(C)cc(C)n1
InChIInChI=1S/C15H17N3O2S/c1-9-7-10(2)17-15(16-9)18-14(19)12-6-5-11(21-4)8-13(12)20-3/h5-8H,1-4H3,(H,16,17,18,19)
InChIKeyIYZQGLNWAUPPPQ-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.08
Rot. Bonds4

About N-(4,6-dimethylpyrimidin-2-yl)-2-methoxy-4-methylsulfanylbenzamide

N-(4,6-dimethylpyrimidin-2-yl)-2-methoxy-4-methylsulfanylbenzamide (PubChem CID 884181) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-2-methoxy-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-2-methoxy-4-methylsulfanylbenzamide
PubChem CID884181
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-2-methoxy-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1nc(C)cc(C)n1
InChIInChI=1S/C15H17N3O2S/c1-9-7-10(2)17-15(16-9)18-14(19)12-6-5-11(21-4)8-13(12)20-3/h5-8H,1-4H3,(H,16,17,18,19)
InChIKeyIYZQGLNWAUPPPQ-UHFFFAOYSA-N
XLogP3.08
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-methoxy-4-methylsulfanylbenzamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-methoxy-4-methylsulfanylbenzamide (CID 884181) is N-(4,6-dimethylpyrimidin-2-yl)-2-methoxy-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-2-methoxy-4-methylsulfanylbenzamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-2-methoxy-4-methylsulfanylbenzamide is COc1cc(SC)ccc1C(=O)Nc1nc(C)cc(C)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-2-methoxy-4-methylsulfanylbenzamide?
The InChIKey is IYZQGLNWAUPPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-9-7-10(2)17-15(16-9)18-14(19)12-6-5-11(21-4)8-13(12)20-3/h5-8H,1-4H3,(H,16,17,18,19).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-2-methoxy-4-methylsulfanylbenzamide?
N-(4,6-dimethylpyrimidin-2-yl)-2-methoxy-4-methylsulfanylbenzamide has a molecular weight of 303.39 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-2-methoxy-4-methylsulfanylbenzamide is sourced from PubChem (CID 884181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).