N-ethyl-N-(4-methoxy-2-methylsulfanylphenyl)-4,6-dimethylpyrimidin-2-amine

C16H21N3OS — CID 10662222

IUPACN-ethyl-N-(4-methoxy-2-methylsulfanylphenyl)-4,6-dimethylpyrimidin-2-amine
SMILESCCN(c1nc(C)cc(C)n1)c1ccc(OC)cc1SC
InChIInChI=1S/C16H21N3OS/c1-6-19(16-17-11(2)9-12(3)18-16)14-8-7-13(20-4)10-15(14)21-5/h7-10H,6H2,1-5H3
InChIKeyRLJLNYOWGVLUFS-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.98
Rot. Bonds5

About N-ethyl-N-(4-methoxy-2-methylsulfanylphenyl)-4,6-dimethylpyrimidin-2-amine

N-ethyl-N-(4-methoxy-2-methylsulfanylphenyl)-4,6-dimethylpyrimidin-2-amine (PubChem CID 10662222) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-ethyl-N-(4-methoxy-2-methylsulfanylphenyl)-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-N-(4-methoxy-2-methylsulfanylphenyl)-4,6-dimethylpyrimidin-2-amine
PubChem CID10662222
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-ethyl-N-(4-methoxy-2-methylsulfanylphenyl)-4,6-dimethylpyrimidin-2-amine
SMILESCCN(c1nc(C)cc(C)n1)c1ccc(OC)cc1SC
InChIInChI=1S/C16H21N3OS/c1-6-19(16-17-11(2)9-12(3)18-16)14-8-7-13(20-4)10-15(14)21-5/h7-10H,6H2,1-5H3
InChIKeyRLJLNYOWGVLUFS-UHFFFAOYSA-N
XLogP3.98
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-methoxy-2-methylsulfanylphenyl)-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-ethyl-N-(4-methoxy-2-methylsulfanylphenyl)-4,6-dimethylpyrimidin-2-amine (CID 10662222) is N-ethyl-N-(4-methoxy-2-methylsulfanylphenyl)-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-N-(4-methoxy-2-methylsulfanylphenyl)-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-N-(4-methoxy-2-methylsulfanylphenyl)-4,6-dimethylpyrimidin-2-amine is CCN(c1nc(C)cc(C)n1)c1ccc(OC)cc1SC.
What is the InChIKey of N-ethyl-N-(4-methoxy-2-methylsulfanylphenyl)-4,6-dimethylpyrimidin-2-amine?
The InChIKey is RLJLNYOWGVLUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-6-19(16-17-11(2)9-12(3)18-16)14-8-7-13(20-4)10-15(14)21-5/h7-10H,6H2,1-5H3.
What are the key properties of N-ethyl-N-(4-methoxy-2-methylsulfanylphenyl)-4,6-dimethylpyrimidin-2-amine?
N-ethyl-N-(4-methoxy-2-methylsulfanylphenyl)-4,6-dimethylpyrimidin-2-amine has a molecular weight of 303.43 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-methoxy-2-methylsulfanylphenyl)-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 10662222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).