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

C15H16ClF3N4O — CID 162513946

IUPAC5-chloro-6-ethyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCCCOc2ccc(C(F)(F)F)cn2)c1Cl
InChIInChI=1S/C15H16ClF3N4O/c1-2-11-13(16)14(23-9-22-11)20-6-3-7-24-12-5-4-10(8-21-12)15(17,18)19/h4-5,8-9H,2-3,6-7H2,1H3,(H,20,22,23)
InChIKeyPBFOFXLEMSUSFP-UHFFFAOYSA-N
MW360.77 g/mol
LogP3.99
Rot. Bonds7

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

5-chloro-6-ethyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine (PubChem CID 162513946) has the molecular formula C15H16ClF3N4O and a molecular weight of 360.77 g/mol. Its IUPAC name is 5-chloro-6-ethyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-ethyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine
PubChem CID162513946
Molecular FormulaC15H16ClF3N4O
Molecular Weight360.77 g/mol
Exact Mass360.10
IUPAC Name5-chloro-6-ethyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCCCOc2ccc(C(F)(F)F)cn2)c1Cl
InChIInChI=1S/C15H16ClF3N4O/c1-2-11-13(16)14(23-9-22-11)20-6-3-7-24-12-5-4-10(8-21-12)15(17,18)19/h4-5,8-9H,2-3,6-7H2,1H3,(H,20,22,23)
InChIKeyPBFOFXLEMSUSFP-UHFFFAOYSA-N
XLogP3.99
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.77
LogP ≤ 53.99
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-6-ethyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-ethyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine (CID 162513946) is 5-chloro-6-ethyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-ethyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-ethyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine is CCc1ncnc(NCCCOc2ccc(C(F)(F)F)cn2)c1Cl.
What is the InChIKey of 5-chloro-6-ethyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine?
The InChIKey is PBFOFXLEMSUSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N4O/c1-2-11-13(16)14(23-9-22-11)20-6-3-7-24-12-5-4-10(8-21-12)15(17,18)19/h4-5,8-9H,2-3,6-7H2,1H3,(H,20,22,23).
What are the key properties of 5-chloro-6-ethyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine?
5-chloro-6-ethyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine has a molecular weight of 360.77 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-ethyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine is sourced from PubChem (CID 162513946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).