5-chloro-N-[1-[(3,5-dichloro-2-pyridinyl)oxy]propan-2-yl]-6-(difluoromethyl)pyrimidin-4-amine

C13H11Cl3F2N4O — CID 162514070

IUPAC5-chloro-N-[1-[(3,5-dichloro-2-pyridinyl)oxy]propan-2-yl]-6-(difluoromethyl)pyrimidin-4-amine
SMILESCC(COc1ncc(Cl)cc1Cl)Nc1ncnc(C(F)F)c1Cl
InChIInChI=1S/C13H11Cl3F2N4O/c1-6(4-23-13-8(15)2-7(14)3-19-13)22-12-9(16)10(11(17)18)20-5-21-12/h2-3,5-6,11H,4H2,1H3,(H,20,21,22)
InChIKeyIIBDNGLOHXQNIT-UHFFFAOYSA-N
MW383.61 g/mol
LogP4.65
Rot. Bonds6

About 5-chloro-N-[1-[(3,5-dichloro-2-pyridinyl)oxy]propan-2-yl]-6-(difluoromethyl)pyrimidin-4-amine

5-chloro-N-[1-[(3,5-dichloro-2-pyridinyl)oxy]propan-2-yl]-6-(difluoromethyl)pyrimidin-4-amine (PubChem CID 162514070) has the molecular formula C13H11Cl3F2N4O and a molecular weight of 383.61 g/mol. Its IUPAC name is 5-chloro-N-[1-[(3,5-dichloro-2-pyridinyl)oxy]propan-2-yl]-6-(difluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[1-[(3,5-dichloro-2-pyridinyl)oxy]propan-2-yl]-6-(difluoromethyl)pyrimidin-4-amine
PubChem CID162514070
Molecular FormulaC13H11Cl3F2N4O
Molecular Weight383.61 g/mol
Exact Mass382.00
IUPAC Name5-chloro-N-[1-[(3,5-dichloro-2-pyridinyl)oxy]propan-2-yl]-6-(difluoromethyl)pyrimidin-4-amine
SMILESCC(COc1ncc(Cl)cc1Cl)Nc1ncnc(C(F)F)c1Cl
InChIInChI=1S/C13H11Cl3F2N4O/c1-6(4-23-13-8(15)2-7(14)3-19-13)22-12-9(16)10(11(17)18)20-5-21-12/h2-3,5-6,11H,4H2,1H3,(H,20,21,22)
InChIKeyIIBDNGLOHXQNIT-UHFFFAOYSA-N
XLogP4.65
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.61
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[1-[(3,5-dichloro-2-pyridinyl)oxy]propan-2-yl]-6-(difluoromethyl)pyrimidin-4-amine with MolForge

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Related Compounds

5-chloro-N-[1-[(3-chloro-2-pyridinyl)oxy]propan-2-yl]-6-(difluoromethyl)pyrimidin-4-amine
CID 175251154
N-[1-[5-(4-bromophenyl)-1-methylpyrazol-3-yl]oxypropan-2-yl]-5-chloro-6-(difluoromethyl)pyrimidin-4-amine
CID 155176675
5-chloro-6-(difluoromethyl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-yl]pyrimidin-4-amine
CID 162514041
5-chloro-6-(difluoromethyl)-2-methyl-N-[(2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyrimidin-4-amine
CID 175780790
3,5-dichloro-2-(difluoromethyl)pyridine
CID 60622989
3,5-dichloro-N-(5-methylhexan-2-yl)pyridin-2-amine
CID 63925501
5-chloro-N-[1-(3-chlorophenyl)ethyl]-6-(1-fluoroethyl)pyrimidin-4-amine
CID 19104016
5-chloro-N-[2-[6-(2,4-dichlorophenoxy)-3-pyridinyl]ethyl]-6-(difluoromethyl)pyrimidin-4-amine
CID 90131296
N-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 59580171
5-chloro-N-[2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]ethyl]-6-(difluoromethyl)-2-methylpyrimidin-4-amine
CID 162513998
(2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine;hydrochloride
CID 142503813
2-[[5-bromo-6-(difluoromethyl)pyrimidin-4-yl]amino]propan-1-ol
CID 176900731

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[(3,5-dichloro-2-pyridinyl)oxy]propan-2-yl]-6-(difluoromethyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[1-[(3,5-dichloro-2-pyridinyl)oxy]propan-2-yl]-6-(difluoromethyl)pyrimidin-4-amine (CID 162514070) is 5-chloro-N-[1-[(3,5-dichloro-2-pyridinyl)oxy]propan-2-yl]-6-(difluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[1-[(3,5-dichloro-2-pyridinyl)oxy]propan-2-yl]-6-(difluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[1-[(3,5-dichloro-2-pyridinyl)oxy]propan-2-yl]-6-(difluoromethyl)pyrimidin-4-amine is CC(COc1ncc(Cl)cc1Cl)Nc1ncnc(C(F)F)c1Cl.
What is the InChIKey of 5-chloro-N-[1-[(3,5-dichloro-2-pyridinyl)oxy]propan-2-yl]-6-(difluoromethyl)pyrimidin-4-amine?
The InChIKey is IIBDNGLOHXQNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3F2N4O/c1-6(4-23-13-8(15)2-7(14)3-19-13)22-12-9(16)10(11(17)18)20-5-21-12/h2-3,5-6,11H,4H2,1H3,(H,20,21,22).
What are the key properties of 5-chloro-N-[1-[(3,5-dichloro-2-pyridinyl)oxy]propan-2-yl]-6-(difluoromethyl)pyrimidin-4-amine?
5-chloro-N-[1-[(3,5-dichloro-2-pyridinyl)oxy]propan-2-yl]-6-(difluoromethyl)pyrimidin-4-amine has a molecular weight of 383.61 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[(3,5-dichloro-2-pyridinyl)oxy]propan-2-yl]-6-(difluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 162514070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).