MMJQEGXVSBWUJD-UHFFFAOYSA-N

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

C₂₆H₃₈F₂N₆O₃ — CID 118881217

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

IUPAC1-[3-[4-[4-(2,2-difluoroethyl)piperazin-1-yl]-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol

SMILESCNCC(O)COc1cccc(-c2nc(N3CCN(CC(F)F)CC3)cc(N(C)C3CCOCC3)n2)c1

InChIInChI=1S/C26H38F2N6O3/c1-29-16-21(35)18-37-22-5-3-4-19(14-22)26-30-24(32(2)20-6-12-36-13-7-20)15-25(31-26)34-10-8-33(9-11-34)17-23(27)28/h3-5,14-15,20-21,23,29,35H,6-13,16-18H2,1-2H3

InChIKeyMMJQEGXVSBWUJD-UHFFFAOYSA-N

MW520.63 g/mol

LogP2.11

Rot. Bonds11

About MMJQEGXVSBWUJD-UHFFFAOYSA-N

MMJQEGXVSBWUJD-UHFFFAOYSA-N (PubChem CID 118881217) has the molecular formula C₂₆H₃₈F₂N₆O₃ and a molecular weight of 520.63 g/mol. Its IUPAC name is 1-[3-[4-[4-(2,2-difluoroethyl)piperazin-1-yl]-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name	MMJQEGXVSBWUJD-UHFFFAOYSA-N
PubChem CID	118881217
Molecular Formula	C₂₆H₃₈F₂N₆O₃
Molecular Weight	520.63 g/mol
Exact Mass	520.30
IUPAC Name	1-[3-[4-[4-(2,2-difluoroethyl)piperazin-1-yl]-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
SMILES	CNCC(O)COc1cccc(-c2nc(N3CCN(CC(F)F)CC3)cc(N(C)C3CCOCC3)n2)c1
InChI	InChI=1S/C26H38F2N6O3/c1-29-16-21(35)18-37-22-5-3-4-19(14-22)26-30-24(32(2)20-6-12-36-13-7-20)15-25(31-26)34-10-8-33(9-11-34)17-23(27)28/h3-5,14-15,20-21,23,29,35H,6-13,16-18H2,1-2H3
InChIKey	MMJQEGXVSBWUJD-UHFFFAOYSA-N
XLogP	2.11
TPSA	86.22 Å²
H-Bond Donors	2
H-Bond Acceptors	9
Rotatable Bonds	11
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.63
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of MMJQEGXVSBWUJD-UHFFFAOYSA-N (CID 118881217) is 1-[3-[4-[4-(2,2-difluoroethyl)piperazin-1-yl]-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol.

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

The canonical SMILES for MMJQEGXVSBWUJD-UHFFFAOYSA-N is CNCC(O)COc1cccc(-c2nc(N3CCN(CC(F)F)CC3)cc(N(C)C3CCOCC3)n2)c1.

What is the InChIKey of MMJQEGXVSBWUJD-UHFFFAOYSA-N?

The InChIKey is MMJQEGXVSBWUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38F2N6O3/c1-29-16-21(35)18-37-22-5-3-4-19(14-22)26-30-24(32(2)20-6-12-36-13-7-20)15-25(31-26)34-10-8-33(9-11-34)17-23(27)28/h3-5,14-15,20-21,23,29,35H,6-13,16-18H2,1-2H3.

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

MMJQEGXVSBWUJD-UHFFFAOYSA-N has a molecular weight of 520.63 g/mol, XLogP of 2.11, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for MMJQEGXVSBWUJD-UHFFFAOYSA-N is sourced from PubChem (CID 118881217), 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 118881217 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.