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

C11H15F2N3O — CID 103150262

IUPAC2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESNc1nc(CCOCC(F)F)nc2c1CCC2
InChIInChI=1S/C11H15F2N3O/c12-9(13)6-17-5-4-10-15-8-3-1-2-7(8)11(14)16-10/h9H,1-6H2,(H2,14,15,16)
InChIKeyLILRYFCQHPUZJA-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.37
Rot. Bonds5

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

2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 103150262) has the molecular formula C11H15F2N3O and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID103150262
Molecular FormulaC11H15F2N3O
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESNc1nc(CCOCC(F)F)nc2c1CCC2
InChIInChI=1S/C11H15F2N3O/c12-9(13)6-17-5-4-10-15-8-3-1-2-7(8)11(14)16-10/h9H,1-6H2,(H2,14,15,16)
InChIKeyLILRYFCQHPUZJA-UHFFFAOYSA-N
XLogP1.37
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 103150262) is 2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Nc1nc(CCOCC(F)F)nc2c1CCC2.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is LILRYFCQHPUZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O/c12-9(13)6-17-5-4-10-15-8-3-1-2-7(8)11(14)16-10/h9H,1-6H2,(H2,14,15,16).
What are the key properties of 2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 243.26 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 103150262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).