6-[(2-chlorophenyl)methoxy]-2-[(2-chlorophenyl)methylsulfanyl]pyrimidin-4-amine

C18H15Cl2N3OS — CID 45271624

IUPAC6-[(2-chlorophenyl)methoxy]-2-[(2-chlorophenyl)methylsulfanyl]pyrimidin-4-amine
SMILESNc1cc(OCc2ccccc2Cl)nc(SCc2ccccc2Cl)n1
InChIInChI=1S/C18H15Cl2N3OS/c19-14-7-3-1-5-12(14)10-24-17-9-16(21)22-18(23-17)25-11-13-6-2-4-8-15(13)20/h1-9H,10-11H2,(H2,21,22,23)
InChIKeyLGRYQGTWSAXCFD-UHFFFAOYSA-N
MW392.31 g/mol
LogP5.24
Rot. Bonds6

About 6-[(2-chlorophenyl)methoxy]-2-[(2-chlorophenyl)methylsulfanyl]pyrimidin-4-amine

6-[(2-chlorophenyl)methoxy]-2-[(2-chlorophenyl)methylsulfanyl]pyrimidin-4-amine (PubChem CID 45271624) has the molecular formula C18H15Cl2N3OS and a molecular weight of 392.31 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methoxy]-2-[(2-chlorophenyl)methylsulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methoxy]-2-[(2-chlorophenyl)methylsulfanyl]pyrimidin-4-amine
PubChem CID45271624
Molecular FormulaC18H15Cl2N3OS
Molecular Weight392.31 g/mol
Exact Mass391.03
IUPAC Name6-[(2-chlorophenyl)methoxy]-2-[(2-chlorophenyl)methylsulfanyl]pyrimidin-4-amine
SMILESNc1cc(OCc2ccccc2Cl)nc(SCc2ccccc2Cl)n1
InChIInChI=1S/C18H15Cl2N3OS/c19-14-7-3-1-5-12(14)10-24-17-9-16(21)22-18(23-17)25-11-13-6-2-4-8-15(13)20/h1-9H,10-11H2,(H2,21,22,23)
InChIKeyLGRYQGTWSAXCFD-UHFFFAOYSA-N
XLogP5.24
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.31
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methoxy]-2-[(2-chlorophenyl)methylsulfanyl]pyrimidin-4-amine?
The IUPAC name of 6-[(2-chlorophenyl)methoxy]-2-[(2-chlorophenyl)methylsulfanyl]pyrimidin-4-amine (CID 45271624) is 6-[(2-chlorophenyl)methoxy]-2-[(2-chlorophenyl)methylsulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[(2-chlorophenyl)methoxy]-2-[(2-chlorophenyl)methylsulfanyl]pyrimidin-4-amine?
The canonical SMILES for 6-[(2-chlorophenyl)methoxy]-2-[(2-chlorophenyl)methylsulfanyl]pyrimidin-4-amine is Nc1cc(OCc2ccccc2Cl)nc(SCc2ccccc2Cl)n1.
What is the InChIKey of 6-[(2-chlorophenyl)methoxy]-2-[(2-chlorophenyl)methylsulfanyl]pyrimidin-4-amine?
The InChIKey is LGRYQGTWSAXCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3OS/c19-14-7-3-1-5-12(14)10-24-17-9-16(21)22-18(23-17)25-11-13-6-2-4-8-15(13)20/h1-9H,10-11H2,(H2,21,22,23).
What are the key properties of 6-[(2-chlorophenyl)methoxy]-2-[(2-chlorophenyl)methylsulfanyl]pyrimidin-4-amine?
6-[(2-chlorophenyl)methoxy]-2-[(2-chlorophenyl)methylsulfanyl]pyrimidin-4-amine has a molecular weight of 392.31 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methoxy]-2-[(2-chlorophenyl)methylsulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 45271624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).