4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-amine

C11H14F3N3O — CID 114207252

IUPAC4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-amine
SMILESNc1cnc(CCOCC(F)(F)F)nc1C1CC1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)6-18-4-3-9-16-5-8(15)10(17-9)7-1-2-7/h5,7H,1-4,6,15H2
InChIKeyYZINPZMIDXZHPJ-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.06
Rot. Bonds5

About 4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-amine

4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-amine (PubChem CID 114207252) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-amine.

Molecular Properties

Compound Name4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-amine
PubChem CID114207252
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-amine
SMILESNc1cnc(CCOCC(F)(F)F)nc1C1CC1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)6-18-4-3-9-16-5-8(15)10(17-9)7-1-2-7/h5,7H,1-4,6,15H2
InChIKeyYZINPZMIDXZHPJ-UHFFFAOYSA-N
XLogP2.06
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.06
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 4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-amine?
The IUPAC name of 4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-amine (CID 114207252) is 4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-amine.
What is the SMILES notation for 4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-amine?
The canonical SMILES for 4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-amine is Nc1cnc(CCOCC(F)(F)F)nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-amine?
The InChIKey is YZINPZMIDXZHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)6-18-4-3-9-16-5-8(15)10(17-9)7-1-2-7/h5,7H,1-4,6,15H2.
What are the key properties of 4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-amine?
4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-amine has a molecular weight of 261.25 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-amine is sourced from PubChem (CID 114207252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).