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

C11H14F3N3 — CID 55045431

IUPACN-ethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCNc1nc(CC(F)(F)F)nc2c1CCC2
InChIInChI=1S/C11H14F3N3/c1-2-15-10-7-4-3-5-8(7)16-9(17-10)6-11(12,13)14/h2-6H2,1H3,(H,15,16,17)
InChIKeyWHCQXJOTKWXZRM-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.50
Rot. Bonds3

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

N-ethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 55045431) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is N-ethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID55045431
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC NameN-ethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCNc1nc(CC(F)(F)F)nc2c1CCC2
InChIInChI=1S/C11H14F3N3/c1-2-15-10-7-4-3-5-8(7)16-9(17-10)6-11(12,13)14/h2-6H2,1H3,(H,15,16,17)
InChIKeyWHCQXJOTKWXZRM-UHFFFAOYSA-N
XLogP2.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 55045431) is N-ethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CCNc1nc(CC(F)(F)F)nc2c1CCC2.
What is the InChIKey of N-ethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is WHCQXJOTKWXZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c1-2-15-10-7-4-3-5-8(7)16-9(17-10)6-11(12,13)14/h2-6H2,1H3,(H,15,16,17).
What are the key properties of N-ethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-ethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 245.25 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 55045431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).