6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-ethylpyrimidin-4-amine

C13H19F2N3O — CID 103150353

IUPAC6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(C2CC2)nc(CCOCC(F)F)n1
InChIInChI=1S/C13H19F2N3O/c1-2-16-13-7-10(9-3-4-9)17-12(18-13)5-6-19-8-11(14)15/h7,9,11H,2-6,8H2,1H3,(H,16,17,18)
InChIKeyKMEKBEDYVGGOKJ-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.61
Rot. Bonds8

About 6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-ethylpyrimidin-4-amine

6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-ethylpyrimidin-4-amine (PubChem CID 103150353) has the molecular formula C13H19F2N3O and a molecular weight of 271.31 g/mol. Its IUPAC name is 6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-ethylpyrimidin-4-amine
PubChem CID103150353
Molecular FormulaC13H19F2N3O
Molecular Weight271.31 g/mol
Exact Mass271.15
IUPAC Name6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(C2CC2)nc(CCOCC(F)F)n1
InChIInChI=1S/C13H19F2N3O/c1-2-16-13-7-10(9-3-4-9)17-12(18-13)5-6-19-8-11(14)15/h7,9,11H,2-6,8H2,1H3,(H,16,17,18)
InChIKeyKMEKBEDYVGGOKJ-UHFFFAOYSA-N
XLogP2.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-ethylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-ethylpyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-ethylpyrimidin-4-amine (CID 103150353) is 6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-ethylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-ethylpyrimidin-4-amine is CCNc1cc(C2CC2)nc(CCOCC(F)F)n1.
What is the InChIKey of 6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-ethylpyrimidin-4-amine?
The InChIKey is KMEKBEDYVGGOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O/c1-2-16-13-7-10(9-3-4-9)17-12(18-13)5-6-19-8-11(14)15/h7,9,11H,2-6,8H2,1H3,(H,16,17,18).
What are the key properties of 6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-ethylpyrimidin-4-amine?
6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-ethylpyrimidin-4-amine has a molecular weight of 271.31 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 103150353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).