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

C15H14ClF5N4O — CID 162513935

IUPAC5-chloro-6-(difluoromethyl)-2-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine
SMILESCc1nc(NCC(C)Oc2ccc(C(F)(F)F)cn2)c(Cl)c(C(F)F)n1
InChIInChI=1S/C15H14ClF5N4O/c1-7(26-10-4-3-9(6-22-10)15(19,20)21)5-23-14-11(16)12(13(17)18)24-8(2)25-14/h3-4,6-7,13H,5H2,1-2H3,(H,23,24,25)
InChIKeyLBNNHIXZHHFYEQ-UHFFFAOYSA-N
MW396.75 g/mol
LogP4.67
Rot. Bonds6

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

5-chloro-6-(difluoromethyl)-2-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine (PubChem CID 162513935) has the molecular formula C15H14ClF5N4O and a molecular weight of 396.75 g/mol. Its IUPAC name is 5-chloro-6-(difluoromethyl)-2-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-(difluoromethyl)-2-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine
PubChem CID162513935
Molecular FormulaC15H14ClF5N4O
Molecular Weight396.75 g/mol
Exact Mass396.08
IUPAC Name5-chloro-6-(difluoromethyl)-2-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine
SMILESCc1nc(NCC(C)Oc2ccc(C(F)(F)F)cn2)c(Cl)c(C(F)F)n1
InChIInChI=1S/C15H14ClF5N4O/c1-7(26-10-4-3-9(6-22-10)15(19,20)21)5-23-14-11(16)12(13(17)18)24-8(2)25-14/h3-4,6-7,13H,5H2,1-2H3,(H,23,24,25)
InChIKeyLBNNHIXZHHFYEQ-UHFFFAOYSA-N
XLogP4.67
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.75
LogP ≤ 54.67
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)-2-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-(difluoromethyl)-2-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine (CID 162513935) is 5-chloro-6-(difluoromethyl)-2-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-(difluoromethyl)-2-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-(difluoromethyl)-2-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine is Cc1nc(NCC(C)Oc2ccc(C(F)(F)F)cn2)c(Cl)c(C(F)F)n1.
What is the InChIKey of 5-chloro-6-(difluoromethyl)-2-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine?
The InChIKey is LBNNHIXZHHFYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF5N4O/c1-7(26-10-4-3-9(6-22-10)15(19,20)21)5-23-14-11(16)12(13(17)18)24-8(2)25-14/h3-4,6-7,13H,5H2,1-2H3,(H,23,24,25).
What are the key properties of 5-chloro-6-(difluoromethyl)-2-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine?
5-chloro-6-(difluoromethyl)-2-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine has a molecular weight of 396.75 g/mol, XLogP of 4.67, 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)-2-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine is sourced from PubChem (CID 162513935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).