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

C12H15F3N4O — CID 114739810

IUPAC4-methyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine
SMILESCN1CCOC(c2nc3c(c(C(F)(F)F)n2)CNC3)C1
InChIInChI=1S/C12H15F3N4O/c1-19-2-3-20-9(6-19)11-17-8-5-16-4-7(8)10(18-11)12(13,14)15/h9,16H,2-6H2,1H3
InChIKeyHLOQWWOSRWCRIB-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.10
Rot. Bonds1

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

4-methyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine (PubChem CID 114739810) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is 4-methyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-methyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine
PubChem CID114739810
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC Name4-methyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine
SMILESCN1CCOC(c2nc3c(c(C(F)(F)F)n2)CNC3)C1
InChIInChI=1S/C12H15F3N4O/c1-19-2-3-20-9(6-19)11-17-8-5-16-4-7(8)10(18-11)12(13,14)15/h9,16H,2-6H2,1H3
InChIKeyHLOQWWOSRWCRIB-UHFFFAOYSA-N
XLogP1.10
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethoxymethyl)-4-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 56907378
2-(2-Methoxyethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 66969701
2-amino-N-(2,2-difluoropropyl)-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 91205316
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
4-Methyl-2-[[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]methyl]morpholine
CID 79072295
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-methyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-methyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine (CID 114739810) is 4-methyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-methyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-methyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine is CN1CCOC(c2nc3c(c(C(F)(F)F)n2)CNC3)C1.
What is the InChIKey of 4-methyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine?
The InChIKey is HLOQWWOSRWCRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O/c1-19-2-3-20-9(6-19)11-17-8-5-16-4-7(8)10(18-11)12(13,14)15/h9,16H,2-6H2,1H3.
What are the key properties of 4-methyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine?
4-methyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine has a molecular weight of 288.27 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 114739810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).