RYLRLADEFFZKLS-SUNYJGFJSA-N

Name: RYLRLADEFFZKLS-SUNYJGFJSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₂H₂₂F₂N₆O₂ — CID 90416226

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[5-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

SMILESCc1cc(-c2cnc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4[C@H](C)F)n3)nc2)ccc1F

InChIInChI=1S/C22H22F2N6O2/c1-12-8-15(4-5-17(12)24)16-9-26-20(27-10-16)14(3)28-21-25-7-6-19(29-21)30-18(13(2)23)11-32-22(30)31/h4-10,13-14,18H,11H2,1-3H3,(H,25,28,29)/t13-,14-,18+/m0/s1

InChIKeyRYLRLADEFFZKLS-SUNYJGFJSA-N

MW440.45 g/mol

LogP4.24

Rot. Bonds6

About RYLRLADEFFZKLS-SUNYJGFJSA-N

RYLRLADEFFZKLS-SUNYJGFJSA-N (PubChem CID 90416226) has the molecular formula C₂₂H₂₂F₂N₆O₂ and a molecular weight of 440.45 g/mol. Its IUPAC name is (4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[5-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name	RYLRLADEFFZKLS-SUNYJGFJSA-N
PubChem CID	90416226
Molecular Formula	C₂₂H₂₂F₂N₆O₂
Molecular Weight	440.45 g/mol
Exact Mass	440.18
IUPAC Name	(4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[5-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILES	Cc1cc(-c2cnc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4[C@H](C)F)n3)nc2)ccc1F
InChI	InChI=1S/C22H22F2N6O2/c1-12-8-15(4-5-17(12)24)16-9-26-20(27-10-16)14(3)28-21-25-7-6-19(29-21)30-18(13(2)23)11-32-22(30)31/h4-10,13-14,18H,11H2,1-3H3,(H,25,28,29)/t13-,14-,18+/m0/s1
InChIKey	RYLRLADEFFZKLS-SUNYJGFJSA-N
XLogP	4.24
TPSA	93.13 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	6
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.45
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of RYLRLADEFFZKLS-SUNYJGFJSA-N?

The IUPAC name of RYLRLADEFFZKLS-SUNYJGFJSA-N (CID 90416226) is (4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[5-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

What is the SMILES notation for RYLRLADEFFZKLS-SUNYJGFJSA-N?

The canonical SMILES for RYLRLADEFFZKLS-SUNYJGFJSA-N is Cc1cc(-c2cnc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4[C@H](C)F)n3)nc2)ccc1F.

What is the InChIKey of RYLRLADEFFZKLS-SUNYJGFJSA-N?

The InChIKey is RYLRLADEFFZKLS-SUNYJGFJSA-N. The full InChI is InChI=1S/C22H22F2N6O2/c1-12-8-15(4-5-17(12)24)16-9-26-20(27-10-16)14(3)28-21-25-7-6-19(29-21)30-18(13(2)23)11-32-22(30)31/h4-10,13-14,18H,11H2,1-3H3,(H,25,28,29)/t13-,14-,18+/m0/s1.

What are the key properties of RYLRLADEFFZKLS-SUNYJGFJSA-N?

RYLRLADEFFZKLS-SUNYJGFJSA-N has a molecular weight of 440.45 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for RYLRLADEFFZKLS-SUNYJGFJSA-N is sourced from PubChem (CID 90416226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 90416226 — identifiers, structure, computed properties (public domain)

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