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

C19H17FN6O3 — CID 89489971

IUPAC3-[2-[1-[5-(4-fluorophenoxy)pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2CCOC2=O)n1)c1ncc(Oc2ccc(F)cc2)cn1
InChIInChI=1S/C19H17FN6O3/c1-12(24-18-21-7-6-16(25-18)26-8-9-28-19(26)27)17-22-10-15(11-23-17)29-14-4-2-13(20)3-5-14/h2-7,10-12H,8-9H2,1H3,(H,21,24,25)
InChIKeyCFGMWTCUTVIBNE-UHFFFAOYSA-N
MW396.38 g/mol
LogP3.33
Rot. Bonds6

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

3-[2-[1-[5-(4-fluorophenoxy)pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 89489971) has the molecular formula C19H17FN6O3 and a molecular weight of 396.38 g/mol. Its IUPAC name is 3-[2-[1-[5-(4-fluorophenoxy)pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[1-[5-(4-fluorophenoxy)pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID89489971
Molecular FormulaC19H17FN6O3
Molecular Weight396.38 g/mol
Exact Mass396.13
IUPAC Name3-[2-[1-[5-(4-fluorophenoxy)pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2CCOC2=O)n1)c1ncc(Oc2ccc(F)cc2)cn1
InChIInChI=1S/C19H17FN6O3/c1-12(24-18-21-7-6-16(25-18)26-8-9-28-19(26)27)17-22-10-15(11-23-17)29-14-4-2-13(20)3-5-14/h2-7,10-12H,8-9H2,1H3,(H,21,24,25)
InChIKeyCFGMWTCUTVIBNE-UHFFFAOYSA-N
XLogP3.33
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-[5-(4-fluorophenoxy)pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[1-[5-(4-fluorophenoxy)pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 89489971) is 3-[2-[1-[5-(4-fluorophenoxy)pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[1-[5-(4-fluorophenoxy)pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[1-[5-(4-fluorophenoxy)pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is CC(Nc1nccc(N2CCOC2=O)n1)c1ncc(Oc2ccc(F)cc2)cn1.
What is the InChIKey of 3-[2-[1-[5-(4-fluorophenoxy)pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is CFGMWTCUTVIBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O3/c1-12(24-18-21-7-6-16(25-18)26-8-9-28-19(26)27)17-22-10-15(11-23-17)29-14-4-2-13(20)3-5-14/h2-7,10-12H,8-9H2,1H3,(H,21,24,25).
What are the key properties of 3-[2-[1-[5-(4-fluorophenoxy)pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
3-[2-[1-[5-(4-fluorophenoxy)pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 396.38 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-[5-(4-fluorophenoxy)pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 89489971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).