RTSZYPSJKBCDLR-UHFFFAOYSA-N

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

C₁₈H₂₃F₂N₅O₄S — CID 146215493

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

IUPAC4-[3-[3-(difluoromethoxy)-5-(methylsulfonylmethyl)-2-pyridinyl]-1,4-oxazepan-4-yl]-6-methylpyrimidin-2-amine

SMILESCc1cc(N2CCCOCC2c2ncc(CS(C)(=O)=O)cc2OC(F)F)nc(N)n1

InChIInChI=1S/C18H23F2N5O4S/c1-11-6-15(24-18(21)23-11)25-4-3-5-28-9-13(25)16-14(29-17(19)20)7-12(8-22-16)10-30(2,26)27/h6-8,13,17H,3-5,9-10H2,1-2H3,(H2,21,23,24)

InChIKeyRTSZYPSJKBCDLR-UHFFFAOYSA-N

MW443.48 g/mol

LogP1.88

Rot. Bonds6

About RTSZYPSJKBCDLR-UHFFFAOYSA-N

RTSZYPSJKBCDLR-UHFFFAOYSA-N (PubChem CID 146215493) has the molecular formula C₁₈H₂₃F₂N₅O₄S and a molecular weight of 443.48 g/mol. Its IUPAC name is 4-[3-[3-(difluoromethoxy)-5-(methylsulfonylmethyl)-2-pyridinyl]-1,4-oxazepan-4-yl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name	RTSZYPSJKBCDLR-UHFFFAOYSA-N
PubChem CID	146215493
Molecular Formula	C₁₈H₂₃F₂N₅O₄S
Molecular Weight	443.48 g/mol
Exact Mass	443.14
IUPAC Name	4-[3-[3-(difluoromethoxy)-5-(methylsulfonylmethyl)-2-pyridinyl]-1,4-oxazepan-4-yl]-6-methylpyrimidin-2-amine
SMILES	Cc1cc(N2CCCOCC2c2ncc(CS(C)(=O)=O)cc2OC(F)F)nc(N)n1
InChI	InChI=1S/C18H23F2N5O4S/c1-11-6-15(24-18(21)23-11)25-4-3-5-28-9-13(25)16-14(29-17(19)20)7-12(8-22-16)10-30(2,26)27/h6-8,13,17H,3-5,9-10H2,1-2H3,(H2,21,23,24)
InChIKey	RTSZYPSJKBCDLR-UHFFFAOYSA-N
XLogP	1.88
TPSA	120.53 Å²
H-Bond Donors	1
H-Bond Acceptors	9
Rotatable Bonds	6
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.48
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of RTSZYPSJKBCDLR-UHFFFAOYSA-N?

The IUPAC name of RTSZYPSJKBCDLR-UHFFFAOYSA-N (CID 146215493) is 4-[3-[3-(difluoromethoxy)-5-(methylsulfonylmethyl)-2-pyridinyl]-1,4-oxazepan-4-yl]-6-methylpyrimidin-2-amine.

What is the SMILES notation for RTSZYPSJKBCDLR-UHFFFAOYSA-N?

The canonical SMILES for RTSZYPSJKBCDLR-UHFFFAOYSA-N is Cc1cc(N2CCCOCC2c2ncc(CS(C)(=O)=O)cc2OC(F)F)nc(N)n1.

What is the InChIKey of RTSZYPSJKBCDLR-UHFFFAOYSA-N?

The InChIKey is RTSZYPSJKBCDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N5O4S/c1-11-6-15(24-18(21)23-11)25-4-3-5-28-9-13(25)16-14(29-17(19)20)7-12(8-22-16)10-30(2,26)27/h6-8,13,17H,3-5,9-10H2,1-2H3,(H2,21,23,24).

What are the key properties of RTSZYPSJKBCDLR-UHFFFAOYSA-N?

RTSZYPSJKBCDLR-UHFFFAOYSA-N has a molecular weight of 443.48 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for RTSZYPSJKBCDLR-UHFFFAOYSA-N is sourced from PubChem (CID 146215493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 146215493 — identifiers, structure, computed properties (public domain)

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