OMYDVEHWUFFLMA-FUKCDUGKSA-N

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

C₂₂H₃₀F₂N₄O₄S — CID 68843287

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

IUPAC4-[4-[1-[3-(difluoromethoxy)propylsulfonyl]propyl]-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]aniline

SMILESCCC(c1cc(N2CCOC[C@@H]2C)nc(-c2ccc(N)cc2)n1)S(=O)(=O)CCCOC(F)F

InChIInChI=1S/C22H30F2N4O4S/c1-3-19(33(29,30)12-4-10-32-22(23)24)18-13-20(28-9-11-31-14-15(28)2)27-21(26-18)16-5-7-17(25)8-6-16/h5-8,13,15,19,22H,3-4,9-12,14,25H2,1-2H3/t15-,19?/m0/s1

InChIKeyOMYDVEHWUFFLMA-FUKCDUGKSA-N

MW484.57 g/mol

LogP3.45

Rot. Bonds10

About OMYDVEHWUFFLMA-FUKCDUGKSA-N

OMYDVEHWUFFLMA-FUKCDUGKSA-N (PubChem CID 68843287) has the molecular formula C₂₂H₃₀F₂N₄O₄S and a molecular weight of 484.57 g/mol. Its IUPAC name is 4-[4-[1-[3-(difluoromethoxy)propylsulfonyl]propyl]-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]aniline.

Molecular Properties

Compound Name	OMYDVEHWUFFLMA-FUKCDUGKSA-N
PubChem CID	68843287
Molecular Formula	C₂₂H₃₀F₂N₄O₄S
Molecular Weight	484.57 g/mol
Exact Mass	484.20
IUPAC Name	4-[4-[1-[3-(difluoromethoxy)propylsulfonyl]propyl]-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]aniline
SMILES	CCC(c1cc(N2CCOC[C@@H]2C)nc(-c2ccc(N)cc2)n1)S(=O)(=O)CCCOC(F)F
InChI	InChI=1S/C22H30F2N4O4S/c1-3-19(33(29,30)12-4-10-32-22(23)24)18-13-20(28-9-11-31-14-15(28)2)27-21(26-18)16-5-7-17(25)8-6-16/h5-8,13,15,19,22H,3-4,9-12,14,25H2,1-2H3/t15-,19?/m0/s1
InChIKey	OMYDVEHWUFFLMA-FUKCDUGKSA-N
XLogP	3.45
TPSA	107.64 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	10
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.57
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of OMYDVEHWUFFLMA-FUKCDUGKSA-N?

The IUPAC name of OMYDVEHWUFFLMA-FUKCDUGKSA-N (CID 68843287) is 4-[4-[1-[3-(difluoromethoxy)propylsulfonyl]propyl]-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]aniline.

What is the SMILES notation for OMYDVEHWUFFLMA-FUKCDUGKSA-N?

The canonical SMILES for OMYDVEHWUFFLMA-FUKCDUGKSA-N is CCC(c1cc(N2CCOC[C@@H]2C)nc(-c2ccc(N)cc2)n1)S(=O)(=O)CCCOC(F)F.

What is the InChIKey of OMYDVEHWUFFLMA-FUKCDUGKSA-N?

The InChIKey is OMYDVEHWUFFLMA-FUKCDUGKSA-N. The full InChI is InChI=1S/C22H30F2N4O4S/c1-3-19(33(29,30)12-4-10-32-22(23)24)18-13-20(28-9-11-31-14-15(28)2)27-21(26-18)16-5-7-17(25)8-6-16/h5-8,13,15,19,22H,3-4,9-12,14,25H2,1-2H3/t15-,19?/m0/s1.

What are the key properties of OMYDVEHWUFFLMA-FUKCDUGKSA-N?

OMYDVEHWUFFLMA-FUKCDUGKSA-N has a molecular weight of 484.57 g/mol, XLogP of 3.45, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for OMYDVEHWUFFLMA-FUKCDUGKSA-N is sourced from PubChem (CID 68843287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 68843287 — identifiers, structure, computed properties (public domain)

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