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

C14H12ClF5N4O — CID 162513911

IUPAC5-chloro-6-(difluoromethyl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine
SMILESCC(CNc1ncnc(C(F)F)c1Cl)Oc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H12ClF5N4O/c1-7(25-9-3-2-8(5-21-9)14(18,19)20)4-22-13-10(15)11(12(16)17)23-6-24-13/h2-3,5-7,12H,4H2,1H3,(H,22,23,24)
InChIKeyQCYJRNVPBNJBCL-UHFFFAOYSA-N
MW382.72 g/mol
LogP4.36
Rot. Bonds6

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

5-chloro-6-(difluoromethyl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine (PubChem CID 162513911) has the molecular formula C14H12ClF5N4O and a molecular weight of 382.72 g/mol. Its IUPAC name is 5-chloro-6-(difluoromethyl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-(difluoromethyl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine
PubChem CID162513911
Molecular FormulaC14H12ClF5N4O
Molecular Weight382.72 g/mol
Exact Mass382.06
IUPAC Name5-chloro-6-(difluoromethyl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine
SMILESCC(CNc1ncnc(C(F)F)c1Cl)Oc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H12ClF5N4O/c1-7(25-9-3-2-8(5-21-9)14(18,19)20)4-22-13-10(15)11(12(16)17)23-6-24-13/h2-3,5-7,12H,4H2,1H3,(H,22,23,24)
InChIKeyQCYJRNVPBNJBCL-UHFFFAOYSA-N
XLogP4.36
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.72
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(difluoromethyl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-(difluoromethyl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine (CID 162513911) is 5-chloro-6-(difluoromethyl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-(difluoromethyl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-(difluoromethyl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine is CC(CNc1ncnc(C(F)F)c1Cl)Oc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 5-chloro-6-(difluoromethyl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine?
The InChIKey is QCYJRNVPBNJBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF5N4O/c1-7(25-9-3-2-8(5-21-9)14(18,19)20)4-22-13-10(15)11(12(16)17)23-6-24-13/h2-3,5-7,12H,4H2,1H3,(H,22,23,24).
What are the key properties of 5-chloro-6-(difluoromethyl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine?
5-chloro-6-(difluoromethyl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine has a molecular weight of 382.72 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(difluoromethyl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine is sourced from PubChem (CID 162513911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).