azane;4-chloro-6-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]pyrimidin-2-amine

C16H13ClF3N5O — CID 87482654

IUPACazane;4-chloro-6-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]pyrimidin-2-amine
SMILESN.Nc1nc(Cl)cc(-c2ccc(Oc3ccnc(C(F)(F)F)c3)cc2)n1
InChIInChI=1S/C16H10ClF3N4O.H3N/c17-14-8-12(23-15(21)24-14)9-1-3-10(4-2-9)25-11-5-6-22-13(7-11)16(18,19)20;/h1-8H,(H2,21,23,24);1H3
InChIKeyULSZWGXNYSQSNC-UHFFFAOYSA-N
MW383.76 g/mol
LogP4.75
Rot. Bonds3

About azane;4-chloro-6-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]pyrimidin-2-amine

azane;4-chloro-6-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]pyrimidin-2-amine (PubChem CID 87482654) has the molecular formula C16H13ClF3N5O and a molecular weight of 383.76 g/mol. Its IUPAC name is azane;4-chloro-6-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Nameazane;4-chloro-6-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]pyrimidin-2-amine
PubChem CID87482654
Molecular FormulaC16H13ClF3N5O
Molecular Weight383.76 g/mol
Exact Mass383.08
IUPAC Nameazane;4-chloro-6-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]pyrimidin-2-amine
SMILESN.Nc1nc(Cl)cc(-c2ccc(Oc3ccnc(C(F)(F)F)c3)cc2)n1
InChIInChI=1S/C16H10ClF3N4O.H3N/c17-14-8-12(23-15(21)24-14)9-1-3-10(4-2-9)25-11-5-6-22-13(7-11)16(18,19)20;/h1-8H,(H2,21,23,24);1H3
InChIKeyULSZWGXNYSQSNC-UHFFFAOYSA-N
XLogP4.75
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.76
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of azane;4-chloro-6-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]pyrimidin-2-amine?
The IUPAC name of azane;4-chloro-6-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]pyrimidin-2-amine (CID 87482654) is azane;4-chloro-6-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]pyrimidin-2-amine.
What is the SMILES notation for azane;4-chloro-6-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]pyrimidin-2-amine?
The canonical SMILES for azane;4-chloro-6-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]pyrimidin-2-amine is N.Nc1nc(Cl)cc(-c2ccc(Oc3ccnc(C(F)(F)F)c3)cc2)n1.
What is the InChIKey of azane;4-chloro-6-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]pyrimidin-2-amine?
The InChIKey is ULSZWGXNYSQSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N4O.H3N/c17-14-8-12(23-15(21)24-14)9-1-3-10(4-2-9)25-11-5-6-22-13(7-11)16(18,19)20;/h1-8H,(H2,21,23,24);1H3.
What are the key properties of azane;4-chloro-6-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]pyrimidin-2-amine?
azane;4-chloro-6-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]pyrimidin-2-amine has a molecular weight of 383.76 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-chloro-6-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 87482654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).