5-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-6-ethyl-2-methylpyrimidin-4-amine

C15H15Cl2F3N4O — CID 162513983

IUPAC5-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-6-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1nc(C)nc(NCCOc2ncc(C(F)(F)F)cc2Cl)c1Cl
InChIInChI=1S/C15H15Cl2F3N4O/c1-3-11-12(17)13(24-8(2)23-11)21-4-5-25-14-10(16)6-9(7-22-14)15(18,19)20/h6-7H,3-5H2,1-2H3,(H,21,23,24)
InChIKeyXOILYHQQBCXVIR-UHFFFAOYSA-N
MW395.21 g/mol
LogP4.56
Rot. Bonds6

About 5-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-6-ethyl-2-methylpyrimidin-4-amine

5-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-6-ethyl-2-methylpyrimidin-4-amine (PubChem CID 162513983) has the molecular formula C15H15Cl2F3N4O and a molecular weight of 395.21 g/mol. Its IUPAC name is 5-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-6-ethyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-6-ethyl-2-methylpyrimidin-4-amine
PubChem CID162513983
Molecular FormulaC15H15Cl2F3N4O
Molecular Weight395.21 g/mol
Exact Mass394.06
IUPAC Name5-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-6-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1nc(C)nc(NCCOc2ncc(C(F)(F)F)cc2Cl)c1Cl
InChIInChI=1S/C15H15Cl2F3N4O/c1-3-11-12(17)13(24-8(2)23-11)21-4-5-25-14-10(16)6-9(7-22-14)15(18,19)20/h6-7H,3-5H2,1-2H3,(H,21,23,24)
InChIKeyXOILYHQQBCXVIR-UHFFFAOYSA-N
XLogP4.56
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.21
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 5-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-6-ethyl-2-methylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-6-ethyl-2-methylpyrimidin-4-amine (CID 162513983) is 5-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-6-ethyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-6-ethyl-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-6-ethyl-2-methylpyrimidin-4-amine is CCc1nc(C)nc(NCCOc2ncc(C(F)(F)F)cc2Cl)c1Cl.
What is the InChIKey of 5-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-6-ethyl-2-methylpyrimidin-4-amine?
The InChIKey is XOILYHQQBCXVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2F3N4O/c1-3-11-12(17)13(24-8(2)23-11)21-4-5-25-14-10(16)6-9(7-22-14)15(18,19)20/h6-7H,3-5H2,1-2H3,(H,21,23,24).
What are the key properties of 5-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-6-ethyl-2-methylpyrimidin-4-amine?
5-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-6-ethyl-2-methylpyrimidin-4-amine has a molecular weight of 395.21 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-6-ethyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 162513983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).