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

C14H13Cl2F3N4O — CID 162513949

IUPAC5-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2,6-dimethylpyrimidin-4-amine
SMILESCc1nc(C)c(Cl)c(NCCOc2ncc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C14H13Cl2F3N4O/c1-7-11(16)12(23-8(2)22-7)20-3-4-24-13-10(15)5-9(6-21-13)14(17,18)19/h5-6H,3-4H2,1-2H3,(H,20,22,23)
InChIKeyNJQKGHBULPQQAQ-UHFFFAOYSA-N
MW381.19 g/mol
LogP4.30
Rot. Bonds5

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

5-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2,6-dimethylpyrimidin-4-amine (PubChem CID 162513949) 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]-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2,6-dimethylpyrimidin-4-amine
PubChem CID162513949
Molecular FormulaC14H13Cl2F3N4O
Molecular Weight381.19 g/mol
Exact Mass380.04
IUPAC Name5-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2,6-dimethylpyrimidin-4-amine
SMILESCc1nc(C)c(Cl)c(NCCOc2ncc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C14H13Cl2F3N4O/c1-7-11(16)12(23-8(2)22-7)20-3-4-24-13-10(15)5-9(6-21-13)14(17,18)19/h5-6H,3-4H2,1-2H3,(H,20,22,23)
InChIKeyNJQKGHBULPQQAQ-UHFFFAOYSA-N
XLogP4.30
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.19
LogP ≤ 54.30
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]-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2,6-dimethylpyrimidin-4-amine (CID 162513949) is 5-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2,6-dimethylpyrimidin-4-amine is Cc1nc(C)c(Cl)c(NCCOc2ncc(C(F)(F)F)cc2Cl)n1.
What is the InChIKey of 5-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2,6-dimethylpyrimidin-4-amine?
The InChIKey is NJQKGHBULPQQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2F3N4O/c1-7-11(16)12(23-8(2)22-7)20-3-4-24-13-10(15)5-9(6-21-13)14(17,18)19/h5-6H,3-4H2,1-2H3,(H,20,22,23).
What are the key properties of 5-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2,6-dimethylpyrimidin-4-amine?
5-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2,6-dimethylpyrimidin-4-amine has a molecular weight of 381.19 g/mol, XLogP of 4.30, 5 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]-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 162513949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).