6-chloro-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine

C11H15ClF3N3O — CID 63834076

IUPAC6-chloro-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NCCOCC(F)(F)F
InChIInChI=1S/C11H15ClF3N3O/c1-2-3-8-9(12)17-7-18-10(8)16-4-5-19-6-11(13,14)15/h7H,2-6H2,1H3,(H,16,17,18)
InChIKeyZOUPVLIEDJSZAN-UHFFFAOYSA-N
MW297.71 g/mol
LogP3.07
Rot. Bonds7

About 6-chloro-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine

6-chloro-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (PubChem CID 63834076) has the molecular formula C11H15ClF3N3O and a molecular weight of 297.71 g/mol. Its IUPAC name is 6-chloro-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
PubChem CID63834076
Molecular FormulaC11H15ClF3N3O
Molecular Weight297.71 g/mol
Exact Mass297.09
IUPAC Name6-chloro-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NCCOCC(F)(F)F
InChIInChI=1S/C11H15ClF3N3O/c1-2-3-8-9(12)17-7-18-10(8)16-4-5-19-6-11(13,14)15/h7H,2-6H2,1H3,(H,16,17,18)
InChIKeyZOUPVLIEDJSZAN-UHFFFAOYSA-N
XLogP3.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.71
LogP ≤ 53.07
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-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (CID 63834076) is 6-chloro-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is CCCc1c(Cl)ncnc1NCCOCC(F)(F)F.
What is the InChIKey of 6-chloro-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The InChIKey is ZOUPVLIEDJSZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3N3O/c1-2-3-8-9(12)17-7-18-10(8)16-4-5-19-6-11(13,14)15/h7H,2-6H2,1H3,(H,16,17,18).
What are the key properties of 6-chloro-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
6-chloro-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine has a molecular weight of 297.71 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 63834076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).