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

C14H15Cl2FN4O — CID 162513972

IUPAC5-chloro-N-[3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]propyl]-2,6-dimethylpyrimidin-4-amine
SMILESCc1nc(C)c(Cl)c(NCCCOc2ncc(Cl)cc2F)n1
InChIInChI=1S/C14H15Cl2FN4O/c1-8-12(16)13(21-9(2)20-8)18-4-3-5-22-14-11(17)6-10(15)7-19-14/h6-7H,3-5H2,1-2H3,(H,18,20,21)
InChIKeyZDFJOSGROIHYGH-UHFFFAOYSA-N
MW345.21 g/mol
LogP3.82
Rot. Bonds6

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

5-chloro-N-[3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]propyl]-2,6-dimethylpyrimidin-4-amine (PubChem CID 162513972) has the molecular formula C14H15Cl2FN4O and a molecular weight of 345.21 g/mol. Its IUPAC name is 5-chloro-N-[3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]propyl]-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]propyl]-2,6-dimethylpyrimidin-4-amine
PubChem CID162513972
Molecular FormulaC14H15Cl2FN4O
Molecular Weight345.21 g/mol
Exact Mass344.06
IUPAC Name5-chloro-N-[3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]propyl]-2,6-dimethylpyrimidin-4-amine
SMILESCc1nc(C)c(Cl)c(NCCCOc2ncc(Cl)cc2F)n1
InChIInChI=1S/C14H15Cl2FN4O/c1-8-12(16)13(21-9(2)20-8)18-4-3-5-22-14-11(17)6-10(15)7-19-14/h6-7H,3-5H2,1-2H3,(H,18,20,21)
InChIKeyZDFJOSGROIHYGH-UHFFFAOYSA-N
XLogP3.82
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 53.82
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-[3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]propyl]-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]propyl]-2,6-dimethylpyrimidin-4-amine (CID 162513972) is 5-chloro-N-[3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]propyl]-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]propyl]-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]propyl]-2,6-dimethylpyrimidin-4-amine is Cc1nc(C)c(Cl)c(NCCCOc2ncc(Cl)cc2F)n1.
What is the InChIKey of 5-chloro-N-[3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]propyl]-2,6-dimethylpyrimidin-4-amine?
The InChIKey is ZDFJOSGROIHYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2FN4O/c1-8-12(16)13(21-9(2)20-8)18-4-3-5-22-14-11(17)6-10(15)7-19-14/h6-7H,3-5H2,1-2H3,(H,18,20,21).
What are the key properties of 5-chloro-N-[3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]propyl]-2,6-dimethylpyrimidin-4-amine?
5-chloro-N-[3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]propyl]-2,6-dimethylpyrimidin-4-amine has a molecular weight of 345.21 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]propyl]-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 162513972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).