2-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-5-iodopyrimidin-4-amine

C10H14F2IN3O — CID 103150415

IUPAC2-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-5-iodopyrimidin-4-amine
SMILESCCc1nc(CCOCC(F)F)nc(N)c1I
InChIInChI=1S/C10H14F2IN3O/c1-2-6-9(13)10(14)16-8(15-6)3-4-17-5-7(11)12/h7H,2-5H2,1H3,(H2,14,15,16)
InChIKeyQFFMLEVVOFJEFU-UHFFFAOYSA-N
MW357.14 g/mol
LogP2.05
Rot. Bonds6

About 2-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-5-iodopyrimidin-4-amine

2-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-5-iodopyrimidin-4-amine (PubChem CID 103150415) has the molecular formula C10H14F2IN3O and a molecular weight of 357.14 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-5-iodopyrimidin-4-amine
PubChem CID103150415
Molecular FormulaC10H14F2IN3O
Molecular Weight357.14 g/mol
Exact Mass357.01
IUPAC Name2-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-5-iodopyrimidin-4-amine
SMILESCCc1nc(CCOCC(F)F)nc(N)c1I
InChIInChI=1S/C10H14F2IN3O/c1-2-6-9(13)10(14)16-8(15-6)3-4-17-5-7(11)12/h7H,2-5H2,1H3,(H2,14,15,16)
InChIKeyQFFMLEVVOFJEFU-UHFFFAOYSA-N
XLogP2.05
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.14
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-5-iodopyrimidin-4-amine?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-5-iodopyrimidin-4-amine (CID 103150415) is 2-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-5-iodopyrimidin-4-amine.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-5-iodopyrimidin-4-amine?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-5-iodopyrimidin-4-amine is CCc1nc(CCOCC(F)F)nc(N)c1I.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-5-iodopyrimidin-4-amine?
The InChIKey is QFFMLEVVOFJEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2IN3O/c1-2-6-9(13)10(14)16-8(15-6)3-4-17-5-7(11)12/h7H,2-5H2,1H3,(H2,14,15,16).
What are the key properties of 2-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-5-iodopyrimidin-4-amine?
2-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-5-iodopyrimidin-4-amine has a molecular weight of 357.14 g/mol, XLogP of 2.05, 6 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-ethyl-5-iodopyrimidin-4-amine is sourced from PubChem (CID 103150415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).