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

C11H13F3N4O — CID 114739896

IUPAC4-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine
SMILESFC(F)(F)c1nc(N2CCOCC2)nc2c1CNC2
InChIInChI=1S/C11H13F3N4O/c12-11(13,14)9-7-5-15-6-8(7)16-10(17-9)18-1-3-19-4-2-18/h15H,1-6H2
InChIKeyVYFNKNRHJXXIHU-UHFFFAOYSA-N
MW274.25 g/mol
LogP0.94
Rot. Bonds1

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

4-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine (PubChem CID 114739896) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine
PubChem CID114739896
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name4-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine
SMILESFC(F)(F)c1nc(N2CCOCC2)nc2c1CNC2
InChIInChI=1S/C11H13F3N4O/c12-11(13,14)9-7-5-15-6-8(7)16-10(17-9)18-1-3-19-4-2-18/h15H,1-6H2
InChIKeyVYFNKNRHJXXIHU-UHFFFAOYSA-N
XLogP0.94
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(Morpholin-4-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 67052719
4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine trifluoroacetate
CID 86663163
2-amino-N-(2,2-difluoropropyl)-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 91205316
2,2-Difluoropropyl 2-amino-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate;ethane
CID 168228339
N-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 56872482
2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine
CID 62745292
2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine
CID 79959527
[7-Methyl-4-(trifluoromethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]methanamine
CID 82390474
2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 83848132
2-[2-(2-methoxyethoxy)ethyl]-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 102929705
2-[2-(2,2,2-trifluoroethoxy)ethyl]-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 103151402
2-[2-(2,2-difluoroethoxy)ethyl]-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 103151403

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine (CID 114739896) is 4-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine is FC(F)(F)c1nc(N2CCOCC2)nc2c1CNC2.
What is the InChIKey of 4-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine?
The InChIKey is VYFNKNRHJXXIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c12-11(13,14)9-7-5-15-6-8(7)16-10(17-9)18-1-3-19-4-2-18/h15H,1-6H2.
What are the key properties of 4-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine?
4-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine has a molecular weight of 274.25 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 114739896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).