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

C9H11F3N4 — CID 114739923

IUPACN,N-dimethyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
SMILESCN(C)c1nc2c(c(C(F)(F)F)n1)CNC2
InChIInChI=1S/C9H11F3N4/c1-16(2)8-14-6-4-13-3-5(6)7(15-8)9(10,11)12/h13H,3-4H2,1-2H3
InChIKeyMIWGUFNVDKYWJU-UHFFFAOYSA-N
MW232.21 g/mol
LogP1.16
Rot. Bonds1

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

N,N-dimethyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine (PubChem CID 114739923) has the molecular formula C9H11F3N4 and a molecular weight of 232.21 g/mol. Its IUPAC name is N,N-dimethyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
PubChem CID114739923
Molecular FormulaC9H11F3N4
Molecular Weight232.21 g/mol
Exact Mass232.09
IUPAC NameN,N-dimethyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
SMILESCN(C)c1nc2c(c(C(F)(F)F)n1)CNC2
InChIInChI=1S/C9H11F3N4/c1-16(2)8-14-6-4-13-3-5(6)7(15-8)9(10,11)12/h13H,3-4H2,1-2H3
InChIKeyMIWGUFNVDKYWJU-UHFFFAOYSA-N
XLogP1.16
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine (CID 114739923) is N,N-dimethyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine is CN(C)c1nc2c(c(C(F)(F)F)n1)CNC2.
What is the InChIKey of N,N-dimethyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine?
The InChIKey is MIWGUFNVDKYWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4/c1-16(2)8-14-6-4-13-3-5(6)7(15-8)9(10,11)12/h13H,3-4H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine?
N,N-dimethyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine has a molecular weight of 232.21 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 114739923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).