(4S)-3-[2-[1-[5-[(3-fluorophenyl)methoxy]pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C23H25FN6O3 — CID 90347612

IUPAC(4S)-3-[2-[1-[5-[(3-fluorophenyl)methoxy]pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1ncc(OCc2cccc(F)c2)cn1
InChIInChI=1S/C23H25FN6O3/c1-14(2)19-13-33-23(31)30(19)20-7-8-25-22(29-20)28-15(3)21-26-10-18(11-27-21)32-12-16-5-4-6-17(24)9-16/h4-11,14-15,19H,12-13H2,1-3H3,(H,25,28,29)/t15?,19-/m1/s1
InChIKeyBMNKOBUGYFNKBC-XCWJXAQQSA-N
MW452.49 g/mol
LogP4.14
Rot. Bonds8

About (4S)-3-[2-[1-[5-[(3-fluorophenyl)methoxy]pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[2-[1-[5-[(3-fluorophenyl)methoxy]pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 90347612) has the molecular formula C23H25FN6O3 and a molecular weight of 452.49 g/mol. Its IUPAC name is (4S)-3-[2-[1-[5-[(3-fluorophenyl)methoxy]pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-[1-[5-[(3-fluorophenyl)methoxy]pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID90347612
Molecular FormulaC23H25FN6O3
Molecular Weight452.49 g/mol
Exact Mass452.20
IUPAC Name(4S)-3-[2-[1-[5-[(3-fluorophenyl)methoxy]pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1ncc(OCc2cccc(F)c2)cn1
InChIInChI=1S/C23H25FN6O3/c1-14(2)19-13-33-23(31)30(19)20-7-8-25-22(29-20)28-15(3)21-26-10-18(11-27-21)32-12-16-5-4-6-17(24)9-16/h4-11,14-15,19H,12-13H2,1-3H3,(H,25,28,29)/t15?,19-/m1/s1
InChIKeyBMNKOBUGYFNKBC-XCWJXAQQSA-N
XLogP4.14
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4S)-3-[2-[1-[5-[(3-fluorophenyl)methoxy]pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-[1-[5-[(3-fluorophenyl)methoxy]pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-[1-[5-[(3-fluorophenyl)methoxy]pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 90347612) is (4S)-3-[2-[1-[5-[(3-fluorophenyl)methoxy]pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-[1-[5-[(3-fluorophenyl)methoxy]pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-[1-[5-[(3-fluorophenyl)methoxy]pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1ncc(OCc2cccc(F)c2)cn1.
What is the InChIKey of (4S)-3-[2-[1-[5-[(3-fluorophenyl)methoxy]pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is BMNKOBUGYFNKBC-XCWJXAQQSA-N. The full InChI is InChI=1S/C23H25FN6O3/c1-14(2)19-13-33-23(31)30(19)20-7-8-25-22(29-20)28-15(3)21-26-10-18(11-27-21)32-12-16-5-4-6-17(24)9-16/h4-11,14-15,19H,12-13H2,1-3H3,(H,25,28,29)/t15?,19-/m1/s1.
What are the key properties of (4S)-3-[2-[1-[5-[(3-fluorophenyl)methoxy]pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[2-[1-[5-[(3-fluorophenyl)methoxy]pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 452.49 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-[1-[5-[(3-fluorophenyl)methoxy]pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 90347612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).