OFUBITAYGVGJLW-UHFFFAOYSA-N

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

C₂₁H₂₁N₅O₂ — CID 24889437

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

IUPAC3-(2-morpholin-4-yl-7-pyridin-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenol

SMILESOc1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccccn2)c1

InChIInChI=1S/C21H21N5O2/c27-16-5-3-4-15(14-16)19-17-7-9-26(18-6-1-2-8-22-18)20(17)24-21(23-19)25-10-12-28-13-11-25/h1-6,8,14,27H,7,9-13H2

InChIKeyOFUBITAYGVGJLW-UHFFFAOYSA-N

MW375.43 g/mol

LogP2.78

Rot. Bonds3

About OFUBITAYGVGJLW-UHFFFAOYSA-N

OFUBITAYGVGJLW-UHFFFAOYSA-N (PubChem CID 24889437) has the molecular formula C₂₁H₂₁N₅O₂ and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-(2-morpholin-4-yl-7-pyridin-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenol.

Molecular Properties

Compound Name	OFUBITAYGVGJLW-UHFFFAOYSA-N
PubChem CID	24889437
Molecular Formula	C₂₁H₂₁N₅O₂
Molecular Weight	375.43 g/mol
Exact Mass	375.17
IUPAC Name	3-(2-morpholin-4-yl-7-pyridin-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenol
SMILES	Oc1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccccn2)c1
InChI	InChI=1S/C21H21N5O2/c27-16-5-3-4-15(14-16)19-17-7-9-26(18-6-1-2-8-22-18)20(17)24-21(23-19)25-10-12-28-13-11-25/h1-6,8,14,27H,7,9-13H2
InChIKey	OFUBITAYGVGJLW-UHFFFAOYSA-N
XLogP	2.78
TPSA	74.61 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	3
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.43
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of OFUBITAYGVGJLW-UHFFFAOYSA-N (CID 24889437) is 3-(2-morpholin-4-yl-7-pyridin-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenol.

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

The canonical SMILES for OFUBITAYGVGJLW-UHFFFAOYSA-N is Oc1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccccn2)c1.

What is the InChIKey of OFUBITAYGVGJLW-UHFFFAOYSA-N?

The InChIKey is OFUBITAYGVGJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c27-16-5-3-4-15(14-16)19-17-7-9-26(18-6-1-2-8-22-18)20(17)24-21(23-19)25-10-12-28-13-11-25/h1-6,8,14,27H,7,9-13H2.

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

OFUBITAYGVGJLW-UHFFFAOYSA-N has a molecular weight of 375.43 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for OFUBITAYGVGJLW-UHFFFAOYSA-N is sourced from PubChem (CID 24889437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 24889437 — identifiers, structure, computed properties (public domain)

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