6-[2-(3-chloro-4-methoxyphenyl)phenyl]-2-ethylsulfanylpyrimidin-4-amine

C19H18ClN3OS — CID 69354438

IUPAC6-[2-(3-chloro-4-methoxyphenyl)phenyl]-2-ethylsulfanylpyrimidin-4-amine
SMILESCCSc1nc(N)cc(-c2ccccc2-c2ccc(OC)c(Cl)c2)n1
InChIInChI=1S/C19H18ClN3OS/c1-3-25-19-22-16(11-18(21)23-19)14-7-5-4-6-13(14)12-8-9-17(24-2)15(20)10-12/h4-11H,3H2,1-2H3,(H2,21,22,23)
InChIKeyZOIGXOLBRMOMDI-UHFFFAOYSA-N
MW371.89 g/mol
LogP5.17
Rot. Bonds5

About 6-[2-(3-chloro-4-methoxyphenyl)phenyl]-2-ethylsulfanylpyrimidin-4-amine

6-[2-(3-chloro-4-methoxyphenyl)phenyl]-2-ethylsulfanylpyrimidin-4-amine (PubChem CID 69354438) has the molecular formula C19H18ClN3OS and a molecular weight of 371.89 g/mol. Its IUPAC name is 6-[2-(3-chloro-4-methoxyphenyl)phenyl]-2-ethylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-(3-chloro-4-methoxyphenyl)phenyl]-2-ethylsulfanylpyrimidin-4-amine
PubChem CID69354438
Molecular FormulaC19H18ClN3OS
Molecular Weight371.89 g/mol
Exact Mass371.09
IUPAC Name6-[2-(3-chloro-4-methoxyphenyl)phenyl]-2-ethylsulfanylpyrimidin-4-amine
SMILESCCSc1nc(N)cc(-c2ccccc2-c2ccc(OC)c(Cl)c2)n1
InChIInChI=1S/C19H18ClN3OS/c1-3-25-19-22-16(11-18(21)23-19)14-7-5-4-6-13(14)12-8-9-17(24-2)15(20)10-12/h4-11H,3H2,1-2H3,(H2,21,22,23)
InChIKeyZOIGXOLBRMOMDI-UHFFFAOYSA-N
XLogP5.17
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.89
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chloro-4-methoxyphenyl)phenyl]-2-ethylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-[2-(3-chloro-4-methoxyphenyl)phenyl]-2-ethylsulfanylpyrimidin-4-amine (CID 69354438) is 6-[2-(3-chloro-4-methoxyphenyl)phenyl]-2-ethylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-[2-(3-chloro-4-methoxyphenyl)phenyl]-2-ethylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-[2-(3-chloro-4-methoxyphenyl)phenyl]-2-ethylsulfanylpyrimidin-4-amine is CCSc1nc(N)cc(-c2ccccc2-c2ccc(OC)c(Cl)c2)n1.
What is the InChIKey of 6-[2-(3-chloro-4-methoxyphenyl)phenyl]-2-ethylsulfanylpyrimidin-4-amine?
The InChIKey is ZOIGXOLBRMOMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3OS/c1-3-25-19-22-16(11-18(21)23-19)14-7-5-4-6-13(14)12-8-9-17(24-2)15(20)10-12/h4-11H,3H2,1-2H3,(H2,21,22,23).
What are the key properties of 6-[2-(3-chloro-4-methoxyphenyl)phenyl]-2-ethylsulfanylpyrimidin-4-amine?
6-[2-(3-chloro-4-methoxyphenyl)phenyl]-2-ethylsulfanylpyrimidin-4-amine has a molecular weight of 371.89 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-chloro-4-methoxyphenyl)phenyl]-2-ethylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 69354438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).