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

C22H20F2N4O2 — CID 24890626

IUPAC3-[7-(2,4-difluorophenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccc(F)cc2F)c1
InChIInChI=1S/C22H20F2N4O2/c23-15-4-5-19(18(24)13-15)28-7-6-17-20(14-2-1-3-16(29)12-14)25-22(26-21(17)28)27-8-10-30-11-9-27/h1-5,12-13,29H,6-11H2
InChIKeyHQTSJCFQAASESX-UHFFFAOYSA-N
MW410.42 g/mol
LogP3.66
Rot. Bonds3

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

3-[7-(2,4-difluorophenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol (PubChem CID 24890626) has the molecular formula C22H20F2N4O2 and a molecular weight of 410.42 g/mol. Its IUPAC name is 3-[7-(2,4-difluorophenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name3-[7-(2,4-difluorophenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol
PubChem CID24890626
Molecular FormulaC22H20F2N4O2
Molecular Weight410.42 g/mol
Exact Mass410.16
IUPAC Name3-[7-(2,4-difluorophenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccc(F)cc2F)c1
InChIInChI=1S/C22H20F2N4O2/c23-15-4-5-19(18(24)13-15)28-7-6-17-20(14-2-1-3-16(29)12-14)25-22(26-21(17)28)27-8-10-30-11-9-27/h1-5,12-13,29H,6-11H2
InChIKeyHQTSJCFQAASESX-UHFFFAOYSA-N
XLogP3.66
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[7-(2,4-difluorophenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol?
The IUPAC name of 3-[7-(2,4-difluorophenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol (CID 24890626) is 3-[7-(2,4-difluorophenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol.
What is the SMILES notation for 3-[7-(2,4-difluorophenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol?
The canonical SMILES for 3-[7-(2,4-difluorophenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol is Oc1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccc(F)cc2F)c1.
What is the InChIKey of 3-[7-(2,4-difluorophenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol?
The InChIKey is HQTSJCFQAASESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O2/c23-15-4-5-19(18(24)13-15)28-7-6-17-20(14-2-1-3-16(29)12-14)25-22(26-21(17)28)27-8-10-30-11-9-27/h1-5,12-13,29H,6-11H2.
What are the key properties of 3-[7-(2,4-difluorophenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol?
3-[7-(2,4-difluorophenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol has a molecular weight of 410.42 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(2,4-difluorophenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol is sourced from PubChem (CID 24890626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).