N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C9H10F3N3 — CID 62832046

IUPACN-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESFC(F)(F)CNc1ncnc2c1CCC2
InChIInChI=1S/C9H10F3N3/c10-9(11,12)4-13-8-6-2-1-3-7(6)14-5-15-8/h5H,1-4H2,(H,13,14,15)
InChIKeySUHOCXIQLYYVOX-UHFFFAOYSA-N
MW217.19 g/mol
LogP1.94
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 62832046) has the molecular formula C9H10F3N3 and a molecular weight of 217.19 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID62832046
Molecular FormulaC9H10F3N3
Molecular Weight217.19 g/mol
Exact Mass217.08
IUPAC NameN-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESFC(F)(F)CNc1ncnc2c1CCC2
InChIInChI=1S/C9H10F3N3/c10-9(11,12)4-13-8-6-2-1-3-7(6)14-5-15-8/h5H,1-4H2,(H,13,14,15)
InChIKeySUHOCXIQLYYVOX-UHFFFAOYSA-N
XLogP1.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 62832046) is N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is FC(F)(F)CNc1ncnc2c1CCC2.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is SUHOCXIQLYYVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3/c10-9(11,12)4-13-8-6-2-1-3-7(6)14-5-15-8/h5H,1-4H2,(H,13,14,15).
What are the key properties of N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 217.19 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 62832046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).