5-[2-fluoro-4-(2-pyrimidin-2-ylsulfanylphenyl)phenyl]pyrimidin-2-amine

C20H14FN5S — CID 90312993

IUPAC5-[2-fluoro-4-(2-pyrimidin-2-ylsulfanylphenyl)phenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(-c3ccccc3Sc3ncccn3)cc2F)cn1
InChIInChI=1S/C20H14FN5S/c21-17-10-13(6-7-15(17)14-11-25-19(22)26-12-14)16-4-1-2-5-18(16)27-20-23-8-3-9-24-20/h1-12H,(H2,22,25,26)
InChIKeyLWWLIOXMIQWYLN-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.47
Rot. Bonds4

About 5-[2-fluoro-4-(2-pyrimidin-2-ylsulfanylphenyl)phenyl]pyrimidin-2-amine

5-[2-fluoro-4-(2-pyrimidin-2-ylsulfanylphenyl)phenyl]pyrimidin-2-amine (PubChem CID 90312993) has the molecular formula C20H14FN5S and a molecular weight of 375.43 g/mol. Its IUPAC name is 5-[2-fluoro-4-(2-pyrimidin-2-ylsulfanylphenyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-fluoro-4-(2-pyrimidin-2-ylsulfanylphenyl)phenyl]pyrimidin-2-amine
PubChem CID90312993
Molecular FormulaC20H14FN5S
Molecular Weight375.43 g/mol
Exact Mass375.10
IUPAC Name5-[2-fluoro-4-(2-pyrimidin-2-ylsulfanylphenyl)phenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(-c3ccccc3Sc3ncccn3)cc2F)cn1
InChIInChI=1S/C20H14FN5S/c21-17-10-13(6-7-15(17)14-11-25-19(22)26-12-14)16-4-1-2-5-18(16)27-20-23-8-3-9-24-20/h1-12H,(H2,22,25,26)
InChIKeyLWWLIOXMIQWYLN-UHFFFAOYSA-N
XLogP4.47
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-(2-pyrimidin-2-ylsulfanylphenyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 5-[2-fluoro-4-(2-pyrimidin-2-ylsulfanylphenyl)phenyl]pyrimidin-2-amine (CID 90312993) is 5-[2-fluoro-4-(2-pyrimidin-2-ylsulfanylphenyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-fluoro-4-(2-pyrimidin-2-ylsulfanylphenyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-fluoro-4-(2-pyrimidin-2-ylsulfanylphenyl)phenyl]pyrimidin-2-amine is Nc1ncc(-c2ccc(-c3ccccc3Sc3ncccn3)cc2F)cn1.
What is the InChIKey of 5-[2-fluoro-4-(2-pyrimidin-2-ylsulfanylphenyl)phenyl]pyrimidin-2-amine?
The InChIKey is LWWLIOXMIQWYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5S/c21-17-10-13(6-7-15(17)14-11-25-19(22)26-12-14)16-4-1-2-5-18(16)27-20-23-8-3-9-24-20/h1-12H,(H2,22,25,26).
What are the key properties of 5-[2-fluoro-4-(2-pyrimidin-2-ylsulfanylphenyl)phenyl]pyrimidin-2-amine?
5-[2-fluoro-4-(2-pyrimidin-2-ylsulfanylphenyl)phenyl]pyrimidin-2-amine has a molecular weight of 375.43 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-(2-pyrimidin-2-ylsulfanylphenyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 90312993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).