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

C10H15F2N3O — CID 103081296

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NCCOCC(F)F)n1
InChIInChI=1S/C10H15F2N3O/c1-7-5-8(2)15-10(14-7)13-3-4-16-6-9(11)12/h5,9H,3-4,6H2,1-2H3,(H,13,14,15)
InChIKeyHBAMPISBBHPDHT-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.79
Rot. Bonds6

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

N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 103081296) has the molecular formula C10H15F2N3O and a molecular weight of 231.25 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-2-amine
PubChem CID103081296
Molecular FormulaC10H15F2N3O
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NCCOCC(F)F)n1
InChIInChI=1S/C10H15F2N3O/c1-7-5-8(2)15-10(14-7)13-3-4-16-6-9(11)12/h5,9H,3-4,6H2,1-2H3,(H,13,14,15)
InChIKeyHBAMPISBBHPDHT-UHFFFAOYSA-N
XLogP1.79
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.79
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 N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-2-amine (CID 103081296) is N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(NCCOCC(F)F)n1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is HBAMPISBBHPDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O/c1-7-5-8(2)15-10(14-7)13-3-4-16-6-9(11)12/h5,9H,3-4,6H2,1-2H3,(H,13,14,15).
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-2-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 231.25 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 103081296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).