3-[5-fluoro-2-[1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

C21H19F2N5O2 — CID 71541905

IUPAC3-[5-fluoro-2-[1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCc1cc(-c2ccc(C(C)Nc3ncc(F)c(N4CCOC4=O)n3)nc2)ccc1F
InChIInChI=1S/C21H19F2N5O2/c1-12-9-14(3-5-16(12)22)15-4-6-18(24-10-15)13(2)26-20-25-11-17(23)19(27-20)28-7-8-30-21(28)29/h3-6,9-11,13H,7-8H2,1-2H3,(H,25,26,27)
InChIKeyNUKCLTBGGMSGTG-UHFFFAOYSA-N
MW411.41 g/mol
LogP4.25
Rot. Bonds5

About 3-[5-fluoro-2-[1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

3-[5-fluoro-2-[1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 71541905) has the molecular formula C21H19F2N5O2 and a molecular weight of 411.41 g/mol. Its IUPAC name is 3-[5-fluoro-2-[1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[5-fluoro-2-[1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID71541905
Molecular FormulaC21H19F2N5O2
Molecular Weight411.41 g/mol
Exact Mass411.15
IUPAC Name3-[5-fluoro-2-[1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCc1cc(-c2ccc(C(C)Nc3ncc(F)c(N4CCOC4=O)n3)nc2)ccc1F
InChIInChI=1S/C21H19F2N5O2/c1-12-9-14(3-5-16(12)22)15-4-6-18(24-10-15)13(2)26-20-25-11-17(23)19(27-20)28-7-8-30-21(28)29/h3-6,9-11,13H,7-8H2,1-2H3,(H,25,26,27)
InChIKeyNUKCLTBGGMSGTG-UHFFFAOYSA-N
XLogP4.25
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-2-[1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[5-fluoro-2-[1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 71541905) is 3-[5-fluoro-2-[1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[5-fluoro-2-[1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[5-fluoro-2-[1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is Cc1cc(-c2ccc(C(C)Nc3ncc(F)c(N4CCOC4=O)n3)nc2)ccc1F.
What is the InChIKey of 3-[5-fluoro-2-[1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is NUKCLTBGGMSGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O2/c1-12-9-14(3-5-16(12)22)15-4-6-18(24-10-15)13(2)26-20-25-11-17(23)19(27-20)28-7-8-30-21(28)29/h3-6,9-11,13H,7-8H2,1-2H3,(H,25,26,27).
What are the key properties of 3-[5-fluoro-2-[1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
3-[5-fluoro-2-[1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 411.41 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-fluoro-2-[1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 71541905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).