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

C14H13Cl2F3N4O — CID 162513968

IUPAC5-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-6-ethylpyrimidin-4-amine
SMILESCCc1ncnc(NCCOc2ncc(C(F)(F)F)cc2Cl)c1Cl
InChIInChI=1S/C14H13Cl2F3N4O/c1-2-10-11(16)12(23-7-22-10)20-3-4-24-13-9(15)5-8(6-21-13)14(17,18)19/h5-7H,2-4H2,1H3,(H,20,22,23)
InChIKeyXLCQZPNLFPGIOW-UHFFFAOYSA-N
MW381.19 g/mol
LogP4.25
Rot. Bonds6

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

5-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-6-ethylpyrimidin-4-amine (PubChem CID 162513968) has the molecular formula C14H13Cl2F3N4O and a molecular weight of 381.19 g/mol. Its IUPAC name is 5-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-6-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-6-ethylpyrimidin-4-amine
PubChem CID162513968
Molecular FormulaC14H13Cl2F3N4O
Molecular Weight381.19 g/mol
Exact Mass380.04
IUPAC Name5-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-6-ethylpyrimidin-4-amine
SMILESCCc1ncnc(NCCOc2ncc(C(F)(F)F)cc2Cl)c1Cl
InChIInChI=1S/C14H13Cl2F3N4O/c1-2-10-11(16)12(23-7-22-10)20-3-4-24-13-9(15)5-8(6-21-13)14(17,18)19/h5-7H,2-4H2,1H3,(H,20,22,23)
InChIKeyXLCQZPNLFPGIOW-UHFFFAOYSA-N
XLogP4.25
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.19
LogP ≤ 54.25
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-ethylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-6-ethylpyrimidin-4-amine (CID 162513968) is 5-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-6-ethylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-6-ethylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-6-ethylpyrimidin-4-amine is CCc1ncnc(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-ethylpyrimidin-4-amine?
The InChIKey is XLCQZPNLFPGIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2F3N4O/c1-2-10-11(16)12(23-7-22-10)20-3-4-24-13-9(15)5-8(6-21-13)14(17,18)19/h5-7H,2-4H2,1H3,(H,20,22,23).
What are the key properties of 5-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-6-ethylpyrimidin-4-amine?
5-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-6-ethylpyrimidin-4-amine has a molecular weight of 381.19 g/mol, XLogP of 4.25, 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-ethylpyrimidin-4-amine is sourced from PubChem (CID 162513968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).