4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-[2-(trifluoromethyl)phenyl]morpholine

C17H15F3N4O — CID 138042922

IUPAC4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-[2-(trifluoromethyl)phenyl]morpholine
SMILESFC(F)(F)c1ccccc1C1CN(c2ncnc3[nH]ccc23)CCO1
InChIInChI=1S/C17H15F3N4O/c18-17(19,20)13-4-2-1-3-11(13)14-9-24(7-8-25-14)16-12-5-6-21-15(12)22-10-23-16/h1-6,10,14H,7-9H2,(H,21,22,23)
InChIKeyGYBRSKLSNCAYOC-UHFFFAOYSA-N
MW348.33 g/mol
LogP3.55
Rot. Bonds2

About 4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-[2-(trifluoromethyl)phenyl]morpholine

4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-[2-(trifluoromethyl)phenyl]morpholine (PubChem CID 138042922) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is 4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-[2-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-[2-(trifluoromethyl)phenyl]morpholine
PubChem CID138042922
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC Name4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-[2-(trifluoromethyl)phenyl]morpholine
SMILESFC(F)(F)c1ccccc1C1CN(c2ncnc3[nH]ccc23)CCO1
InChIInChI=1S/C17H15F3N4O/c18-17(19,20)13-4-2-1-3-11(13)14-9-24(7-8-25-14)16-12-5-6-21-15(12)22-10-23-16/h1-6,10,14H,7-9H2,(H,21,22,23)
InChIKeyGYBRSKLSNCAYOC-UHFFFAOYSA-N
XLogP3.55
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(2-fluorophenyl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 70719126
(2S)-2-(2-bromophenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine
CID 95694224
ethane;[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine
CID 143698287
2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]acetonitrile
CID 141383930
5-[(2S)-2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-2-carbonitrile
CID 124885301
[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4-oxazepan-6-yl]methanol
CID 70704970
2-(2-chlorophenyl)-4-(7-chloroquinazolin-4-yl)morpholine
CID 86889499
4-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 141194031
2,6-dimethyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine
CID 18008420
N,N-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 138993786
1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 146014294
(2R)-2-(4-fluorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 94180497

Frequently Asked Questions

What is the IUPAC name of 4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-[2-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of 4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-[2-(trifluoromethyl)phenyl]morpholine (CID 138042922) is 4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-[2-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for 4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-[2-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for 4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-[2-(trifluoromethyl)phenyl]morpholine is FC(F)(F)c1ccccc1C1CN(c2ncnc3[nH]ccc23)CCO1.
What is the InChIKey of 4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-[2-(trifluoromethyl)phenyl]morpholine?
The InChIKey is GYBRSKLSNCAYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O/c18-17(19,20)13-4-2-1-3-11(13)14-9-24(7-8-25-14)16-12-5-6-21-15(12)22-10-23-16/h1-6,10,14H,7-9H2,(H,21,22,23).
What are the key properties of 4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-[2-(trifluoromethyl)phenyl]morpholine?
4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-[2-(trifluoromethyl)phenyl]morpholine has a molecular weight of 348.33 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-[2-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 138042922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).