N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C12H15F3N6 — CID 171359240

IUPACN-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFC(F)(F)CN1CCC[C@@H]1CNc1ncnc2[nH]ncc12
InChIInChI=1S/C12H15F3N6/c13-12(14,15)6-21-3-1-2-8(21)4-16-10-9-5-19-20-11(9)18-7-17-10/h5,7-8H,1-4,6H2,(H2,16,17,18,19,20)/t8-/m1/s1
InChIKeyFMWFQCFFURTESX-MRVPVSSYSA-N
MW300.29 g/mol
LogP1.79
Rot. Bonds4

About N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 171359240) has the molecular formula C12H15F3N6 and a molecular weight of 300.29 g/mol. Its IUPAC name is N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID171359240
Molecular FormulaC12H15F3N6
Molecular Weight300.29 g/mol
Exact Mass300.13
IUPAC NameN-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFC(F)(F)CN1CCC[C@@H]1CNc1ncnc2[nH]ncc12
InChIInChI=1S/C12H15F3N6/c13-12(14,15)6-21-3-1-2-8(21)4-16-10-9-5-19-20-11(9)18-7-17-10/h5,7-8H,1-4,6H2,(H2,16,17,18,19,20)/t8-/m1/s1
InChIKeyFMWFQCFFURTESX-MRVPVSSYSA-N
XLogP1.79
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 171359240) is N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is FC(F)(F)CN1CCC[C@@H]1CNc1ncnc2[nH]ncc12.
What is the InChIKey of N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is FMWFQCFFURTESX-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15F3N6/c13-12(14,15)6-21-3-1-2-8(21)4-16-10-9-5-19-20-11(9)18-7-17-10/h5,7-8H,1-4,6H2,(H2,16,17,18,19,20)/t8-/m1/s1.
What are the key properties of N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 300.29 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 171359240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).