5-chloro-N-[2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]ethyl]-6-(difluoromethyl)-2-methylpyrimidin-4-amine

C13H11Cl2F3N4O — CID 162513998

IUPAC5-chloro-N-[2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]ethyl]-6-(difluoromethyl)-2-methylpyrimidin-4-amine
SMILESCc1nc(NCCOc2ncc(Cl)cc2F)c(Cl)c(C(F)F)n1
InChIInChI=1S/C13H11Cl2F3N4O/c1-6-21-10(11(17)18)9(15)12(22-6)19-2-3-23-13-8(16)4-7(14)5-20-13/h4-5,11H,2-3H2,1H3,(H,19,21,22)
InChIKeyYZBOOWVQPCMKPH-UHFFFAOYSA-N
MW367.16 g/mol
LogP4.05
Rot. Bonds6

About 5-chloro-N-[2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]ethyl]-6-(difluoromethyl)-2-methylpyrimidin-4-amine

5-chloro-N-[2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]ethyl]-6-(difluoromethyl)-2-methylpyrimidin-4-amine (PubChem CID 162513998) has the molecular formula C13H11Cl2F3N4O and a molecular weight of 367.16 g/mol. Its IUPAC name is 5-chloro-N-[2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]ethyl]-6-(difluoromethyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]ethyl]-6-(difluoromethyl)-2-methylpyrimidin-4-amine
PubChem CID162513998
Molecular FormulaC13H11Cl2F3N4O
Molecular Weight367.16 g/mol
Exact Mass366.03
IUPAC Name5-chloro-N-[2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]ethyl]-6-(difluoromethyl)-2-methylpyrimidin-4-amine
SMILESCc1nc(NCCOc2ncc(Cl)cc2F)c(Cl)c(C(F)F)n1
InChIInChI=1S/C13H11Cl2F3N4O/c1-6-21-10(11(17)18)9(15)12(22-6)19-2-3-23-13-8(16)4-7(14)5-20-13/h4-5,11H,2-3H2,1H3,(H,19,21,22)
InChIKeyYZBOOWVQPCMKPH-UHFFFAOYSA-N
XLogP4.05
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.16
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]propyl]-2,6-dimethylpyrimidin-4-amine
CID 162513972
5-chloro-N-[2-(5-chloro-3-fluoro-2-pyridinyl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 171782391
2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-N-ethylethanamine
CID 79734651
3-[[(5-chloro-2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluorophenol
CID 22640046
5-chloro-6-(difluoromethyl)-N-[3-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfanyl)phenoxy]propyl]pyrimidin-4-amine
CID 171390819
5-chloro-3-fluoro-2-prop-2-enoxypyridine
CID 79728217
5-chloro-3-fluoro-N-(2-fluoroethyl)pyridin-2-amine
CID 130478073
5-chloro-N-[1-[(3,5-dichloro-2-pyridinyl)oxy]propan-2-yl]-6-(difluoromethyl)pyrimidin-4-amine
CID 162514070
5-chloro-N-[2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]ethyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 118344880
5-chloro-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 75377092
1-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-methylbutan-2-amine
CID 79733959
5-chloro-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 79728558

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]ethyl]-6-(difluoromethyl)-2-methylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]ethyl]-6-(difluoromethyl)-2-methylpyrimidin-4-amine (CID 162513998) is 5-chloro-N-[2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]ethyl]-6-(difluoromethyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]ethyl]-6-(difluoromethyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]ethyl]-6-(difluoromethyl)-2-methylpyrimidin-4-amine is Cc1nc(NCCOc2ncc(Cl)cc2F)c(Cl)c(C(F)F)n1.
What is the InChIKey of 5-chloro-N-[2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]ethyl]-6-(difluoromethyl)-2-methylpyrimidin-4-amine?
The InChIKey is YZBOOWVQPCMKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2F3N4O/c1-6-21-10(11(17)18)9(15)12(22-6)19-2-3-23-13-8(16)4-7(14)5-20-13/h4-5,11H,2-3H2,1H3,(H,19,21,22).
What are the key properties of 5-chloro-N-[2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]ethyl]-6-(difluoromethyl)-2-methylpyrimidin-4-amine?
5-chloro-N-[2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]ethyl]-6-(difluoromethyl)-2-methylpyrimidin-4-amine has a molecular weight of 367.16 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]ethyl]-6-(difluoromethyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 162513998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).