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

C11H15F3N4 — CID 114739949

IUPACN,N-dimethyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]ethanamine
SMILESCN(C)CCc1nc2c(c(C(F)(F)F)n1)CNC2
InChIInChI=1S/C11H15F3N4/c1-18(2)4-3-9-16-8-6-15-5-7(8)10(17-9)11(12,13)14/h15H,3-6H2,1-2H3
InChIKeyNISFAMASCGLQAJ-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.20
Rot. Bonds3

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

N,N-dimethyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]ethanamine (PubChem CID 114739949) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]ethanamine
PubChem CID114739949
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC NameN,N-dimethyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]ethanamine
SMILESCN(C)CCc1nc2c(c(C(F)(F)F)n1)CNC2
InChIInChI=1S/C11H15F3N4/c1-18(2)4-3-9-16-8-6-15-5-7(8)10(17-9)11(12,13)14/h15H,3-6H2,1-2H3
InChIKeyNISFAMASCGLQAJ-UHFFFAOYSA-N
XLogP1.20
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]ethanamine (CID 114739949) is N,N-dimethyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]ethanamine is CN(C)CCc1nc2c(c(C(F)(F)F)n1)CNC2.
What is the InChIKey of N,N-dimethyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]ethanamine?
The InChIKey is NISFAMASCGLQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4/c1-18(2)4-3-9-16-8-6-15-5-7(8)10(17-9)11(12,13)14/h15H,3-6H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]ethanamine?
N,N-dimethyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]ethanamine has a molecular weight of 260.26 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]ethanamine is sourced from PubChem (CID 114739949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).