6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-ethyl-5-methylpyrimidin-4-amine

C11H16ClF2N3O — CID 103081587

IUPAC6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NCCOCC(F)F)n1
InChIInChI=1S/C11H16ClF2N3O/c1-3-9-16-10(12)7(2)11(17-9)15-4-5-18-6-8(13)14/h8H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyMIYBXGQWDGKJDX-UHFFFAOYSA-N
MW279.72 g/mol
LogP2.69
Rot. Bonds7

About 6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-ethyl-5-methylpyrimidin-4-amine

6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-ethyl-5-methylpyrimidin-4-amine (PubChem CID 103081587) has the molecular formula C11H16ClF2N3O and a molecular weight of 279.72 g/mol. Its IUPAC name is 6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-ethyl-5-methylpyrimidin-4-amine
PubChem CID103081587
Molecular FormulaC11H16ClF2N3O
Molecular Weight279.72 g/mol
Exact Mass279.09
IUPAC Name6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NCCOCC(F)F)n1
InChIInChI=1S/C11H16ClF2N3O/c1-3-9-16-10(12)7(2)11(17-9)15-4-5-18-6-8(13)14/h8H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyMIYBXGQWDGKJDX-UHFFFAOYSA-N
XLogP2.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 52.69
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 6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-ethyl-5-methylpyrimidin-4-amine (CID 103081587) is 6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-ethyl-5-methylpyrimidin-4-amine is CCc1nc(Cl)c(C)c(NCCOCC(F)F)n1.
What is the InChIKey of 6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is MIYBXGQWDGKJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClF2N3O/c1-3-9-16-10(12)7(2)11(17-9)15-4-5-18-6-8(13)14/h8H,3-6H2,1-2H3,(H,15,16,17).
What are the key properties of 6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-ethyl-5-methylpyrimidin-4-amine?
6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 279.72 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 103081587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).