4-ethyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine

C13H17F3N4O — CID 114739930

IUPAC4-ethyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine
SMILESCCN1CCOC(c2nc3c(c(C(F)(F)F)n2)CNC3)C1
InChIInChI=1S/C13H17F3N4O/c1-2-20-3-4-21-10(7-20)12-18-9-6-17-5-8(9)11(19-12)13(14,15)16/h10,17H,2-7H2,1H3
InChIKeyPELJQWUJMAWYRP-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.49
Rot. Bonds2

About 4-ethyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine

4-ethyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine (PubChem CID 114739930) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is 4-ethyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-ethyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine
PubChem CID114739930
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC Name4-ethyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine
SMILESCCN1CCOC(c2nc3c(c(C(F)(F)F)n2)CNC3)C1
InChIInChI=1S/C13H17F3N4O/c1-2-20-3-4-21-10(7-20)12-18-9-6-17-5-8(9)11(19-12)13(14,15)16/h10,17H,2-7H2,1H3
InChIKeyPELJQWUJMAWYRP-UHFFFAOYSA-N
XLogP1.49
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine with MolForge

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Related Compounds

2-(4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)-4-ethylmorpholine
CID 114739733
4-ethyl-2-(4-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)morpholine
CID 114738606
4-ethyl-2-(4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)morpholine
CID 114739493
2-(4-tert-butyl-6-chloro-5-iodopyrimidin-2-yl)-4-ethylmorpholine
CID 79666071
2-(4,6-dichloropyrimidin-2-yl)-4-ethylmorpholine
CID 79666573
2-(3-ethyl-1,4-dithian-2-yl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739880
[2-(4-ethylmorpholin-2-yl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 79669278
[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol
CID 79669524
2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-ethylmorpholine
CID 79666831
4-methyl-2-(4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)morpholine
CID 114742578
2-(4-ethylmorpholin-2-yl)-6-methylpyrimidin-4-amine
CID 79669506
2-(4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)-4-propan-2-ylmorpholine
CID 114742471

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-ethyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine (CID 114739930) is 4-ethyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-ethyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-ethyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine is CCN1CCOC(c2nc3c(c(C(F)(F)F)n2)CNC3)C1.
What is the InChIKey of 4-ethyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine?
The InChIKey is PELJQWUJMAWYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c1-2-20-3-4-21-10(7-20)12-18-9-6-17-5-8(9)11(19-12)13(14,15)16/h10,17H,2-7H2,1H3.
What are the key properties of 4-ethyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine?
4-ethyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine has a molecular weight of 302.30 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 114739930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).