6-chloro-2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine

C10H13ClF3N3O — CID 80936008

IUPAC6-chloro-2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCCc1nc(Cl)cc(NCCOCC(F)(F)F)n1
InChIInChI=1S/C10H13ClF3N3O/c1-2-8-16-7(11)5-9(17-8)15-3-4-18-6-10(12,13)14/h5H,2-4,6H2,1H3,(H,15,16,17)
InChIKeySXKABBOCGUWHDL-UHFFFAOYSA-N
MW283.68 g/mol
LogP2.68
Rot. Bonds6

About 6-chloro-2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine

6-chloro-2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (PubChem CID 80936008) has the molecular formula C10H13ClF3N3O and a molecular weight of 283.68 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
PubChem CID80936008
Molecular FormulaC10H13ClF3N3O
Molecular Weight283.68 g/mol
Exact Mass283.07
IUPAC Name6-chloro-2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCCc1nc(Cl)cc(NCCOCC(F)(F)F)n1
InChIInChI=1S/C10H13ClF3N3O/c1-2-8-16-7(11)5-9(17-8)15-3-4-18-6-10(12,13)14/h5H,2-4,6H2,1H3,(H,15,16,17)
InChIKeySXKABBOCGUWHDL-UHFFFAOYSA-N
XLogP2.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.68
LogP ≤ 52.68
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-2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (CID 80936008) is 6-chloro-2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is CCc1nc(Cl)cc(NCCOCC(F)(F)F)n1.
What is the InChIKey of 6-chloro-2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The InChIKey is SXKABBOCGUWHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3O/c1-2-8-16-7(11)5-9(17-8)15-3-4-18-6-10(12,13)14/h5H,2-4,6H2,1H3,(H,15,16,17).
What are the key properties of 6-chloro-2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
6-chloro-2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine has a molecular weight of 283.68 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 80936008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).