5-chloro-6-(difluoromethyl)-2-methyl-N-[(2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyrimidin-4-amine

C15H14ClF5N4O — CID 175780790

IUPAC5-chloro-6-(difluoromethyl)-2-methyl-N-[(2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyrimidin-4-amine
SMILESCc1nc(N[C@H](C)COc2ccc(C(F)(F)F)cn2)c(Cl)c(C(F)F)n1
InChIInChI=1S/C15H14ClF5N4O/c1-7(6-26-10-4-3-9(5-22-10)15(19,20)21)23-14-11(16)12(13(17)18)24-8(2)25-14/h3-5,7,13H,6H2,1-2H3,(H,23,24,25)/t7-/m1/s1
InChIKeyZXACSTFYXZOHTE-SSDOTTSWSA-N
MW396.75 g/mol
LogP4.67
Rot. Bonds6

About 5-chloro-6-(difluoromethyl)-2-methyl-N-[(2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyrimidin-4-amine

5-chloro-6-(difluoromethyl)-2-methyl-N-[(2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyrimidin-4-amine (PubChem CID 175780790) 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-[(2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-(difluoromethyl)-2-methyl-N-[(2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyrimidin-4-amine
PubChem CID175780790
Molecular FormulaC15H14ClF5N4O
Molecular Weight396.75 g/mol
Exact Mass396.08
IUPAC Name5-chloro-6-(difluoromethyl)-2-methyl-N-[(2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyrimidin-4-amine
SMILESCc1nc(N[C@H](C)COc2ccc(C(F)(F)F)cn2)c(Cl)c(C(F)F)n1
InChIInChI=1S/C15H14ClF5N4O/c1-7(6-26-10-4-3-9(5-22-10)15(19,20)21)23-14-11(16)12(13(17)18)24-8(2)25-14/h3-5,7,13H,6H2,1-2H3,(H,23,24,25)/t7-/m1/s1
InChIKeyZXACSTFYXZOHTE-SSDOTTSWSA-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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Related Compounds

5-chloro-6-(difluoromethyl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-yl]pyrimidin-4-amine
CID 162514041
2-(2-methylpentoxy)-5-(trifluoromethyl)pyridine
CID 162563286
3-chloro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 43080874
5-chloro-N-[1-[(3,5-dichloro-2-pyridinyl)oxy]propan-2-yl]-6-(difluoromethyl)pyrimidin-4-amine
CID 162514070
(2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-amine
CID 97179058
N-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 59580171
2-methylsulfanyloxy-5-(trifluoromethyl)pyridine
CID 129204089
2-[2-methyl-3-(3-methylcyclobutyl)propoxy]-5-(trifluoromethyl)pyridine
CID 142536166
5-chloro-6-ethyl-N-[(2R)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]pyrimidin-4-amine
CID 175798753
5-chloro-6-ethyl-N-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine
CID 90131349
N-ethyl-4-fluoro-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide
CID 146577195
5-chloro-N-[2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]ethyl]-6-(difluoromethyl)-2-methylpyrimidin-4-amine
CID 162513998

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(difluoromethyl)-2-methyl-N-[(2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-(difluoromethyl)-2-methyl-N-[(2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyrimidin-4-amine (CID 175780790) is 5-chloro-6-(difluoromethyl)-2-methyl-N-[(2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-(difluoromethyl)-2-methyl-N-[(2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-(difluoromethyl)-2-methyl-N-[(2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyrimidin-4-amine is Cc1nc(N[C@H](C)COc2ccc(C(F)(F)F)cn2)c(Cl)c(C(F)F)n1.
What is the InChIKey of 5-chloro-6-(difluoromethyl)-2-methyl-N-[(2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyrimidin-4-amine?
The InChIKey is ZXACSTFYXZOHTE-SSDOTTSWSA-N. The full InChI is InChI=1S/C15H14ClF5N4O/c1-7(6-26-10-4-3-9(5-22-10)15(19,20)21)23-14-11(16)12(13(17)18)24-8(2)25-14/h3-5,7,13H,6H2,1-2H3,(H,23,24,25)/t7-/m1/s1.
What are the key properties of 5-chloro-6-(difluoromethyl)-2-methyl-N-[(2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyrimidin-4-amine?
5-chloro-6-(difluoromethyl)-2-methyl-N-[(2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]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-[(2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 175780790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).