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

C20H19FN4O3S — CID 90312782

IUPAC5-[2-fluoro-4-(2-morpholin-4-ylsulfonylphenyl)phenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCOCC3)cc2F)cn1
InChIInChI=1S/C20H19FN4O3S/c21-18-11-14(5-6-16(18)15-12-23-20(22)24-13-15)17-3-1-2-4-19(17)29(26,27)25-7-9-28-10-8-25/h1-6,11-13H,7-10H2,(H2,22,23,24)
InChIKeyJUXHDXPYJKWNOX-UHFFFAOYSA-N
MW414.46 g/mol
LogP2.55
Rot. Bonds4

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

5-[2-fluoro-4-(2-morpholin-4-ylsulfonylphenyl)phenyl]pyrimidin-2-amine (PubChem CID 90312782) has the molecular formula C20H19FN4O3S and a molecular weight of 414.46 g/mol. Its IUPAC name is 5-[2-fluoro-4-(2-morpholin-4-ylsulfonylphenyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-fluoro-4-(2-morpholin-4-ylsulfonylphenyl)phenyl]pyrimidin-2-amine
PubChem CID90312782
Molecular FormulaC20H19FN4O3S
Molecular Weight414.46 g/mol
Exact Mass414.12
IUPAC Name5-[2-fluoro-4-(2-morpholin-4-ylsulfonylphenyl)phenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCOCC3)cc2F)cn1
InChIInChI=1S/C20H19FN4O3S/c21-18-11-14(5-6-16(18)15-12-23-20(22)24-13-15)17-3-1-2-4-19(17)29(26,27)25-7-9-28-10-8-25/h1-6,11-13H,7-10H2,(H2,22,23,24)
InChIKeyJUXHDXPYJKWNOX-UHFFFAOYSA-N
XLogP2.55
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 52.55
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-morpholin-4-ylsulfonylphenyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 5-[2-fluoro-4-(2-morpholin-4-ylsulfonylphenyl)phenyl]pyrimidin-2-amine (CID 90312782) is 5-[2-fluoro-4-(2-morpholin-4-ylsulfonylphenyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-fluoro-4-(2-morpholin-4-ylsulfonylphenyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-fluoro-4-(2-morpholin-4-ylsulfonylphenyl)phenyl]pyrimidin-2-amine is Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCOCC3)cc2F)cn1.
What is the InChIKey of 5-[2-fluoro-4-(2-morpholin-4-ylsulfonylphenyl)phenyl]pyrimidin-2-amine?
The InChIKey is JUXHDXPYJKWNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3S/c21-18-11-14(5-6-16(18)15-12-23-20(22)24-13-15)17-3-1-2-4-19(17)29(26,27)25-7-9-28-10-8-25/h1-6,11-13H,7-10H2,(H2,22,23,24).
What are the key properties of 5-[2-fluoro-4-(2-morpholin-4-ylsulfonylphenyl)phenyl]pyrimidin-2-amine?
5-[2-fluoro-4-(2-morpholin-4-ylsulfonylphenyl)phenyl]pyrimidin-2-amine has a molecular weight of 414.46 g/mol, XLogP of 2.55, 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-morpholin-4-ylsulfonylphenyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 90312782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).