3,5-difluoro-N-methyl-6-(4-methylpentan-2-yloxy)pyridin-2-amine

C12H18F2N2O — CID 114073036

IUPAC3,5-difluoro-N-methyl-6-(4-methylpentan-2-yloxy)pyridin-2-amine
SMILESCNc1nc(OC(C)CC(C)C)c(F)cc1F
InChIInChI=1S/C12H18F2N2O/c1-7(2)5-8(3)17-12-10(14)6-9(13)11(15-4)16-12/h6-8H,5H2,1-4H3,(H,15,16)
InChIKeyWFYAISHYQCPCOH-UHFFFAOYSA-N
MW244.28 g/mol
LogP3.21
Rot. Bonds5

About 3,5-difluoro-N-methyl-6-(4-methylpentan-2-yloxy)pyridin-2-amine

3,5-difluoro-N-methyl-6-(4-methylpentan-2-yloxy)pyridin-2-amine (PubChem CID 114073036) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is 3,5-difluoro-N-methyl-6-(4-methylpentan-2-yloxy)pyridin-2-amine.

Molecular Properties

Compound Name3,5-difluoro-N-methyl-6-(4-methylpentan-2-yloxy)pyridin-2-amine
PubChem CID114073036
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC Name3,5-difluoro-N-methyl-6-(4-methylpentan-2-yloxy)pyridin-2-amine
SMILESCNc1nc(OC(C)CC(C)C)c(F)cc1F
InChIInChI=1S/C12H18F2N2O/c1-7(2)5-8(3)17-12-10(14)6-9(13)11(15-4)16-12/h6-8H,5H2,1-4H3,(H,15,16)
InChIKeyWFYAISHYQCPCOH-UHFFFAOYSA-N
XLogP3.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-methyl-6-(4-methylpentan-2-yloxy)pyridin-2-amine?
The IUPAC name of 3,5-difluoro-N-methyl-6-(4-methylpentan-2-yloxy)pyridin-2-amine (CID 114073036) is 3,5-difluoro-N-methyl-6-(4-methylpentan-2-yloxy)pyridin-2-amine.
What is the SMILES notation for 3,5-difluoro-N-methyl-6-(4-methylpentan-2-yloxy)pyridin-2-amine?
The canonical SMILES for 3,5-difluoro-N-methyl-6-(4-methylpentan-2-yloxy)pyridin-2-amine is CNc1nc(OC(C)CC(C)C)c(F)cc1F.
What is the InChIKey of 3,5-difluoro-N-methyl-6-(4-methylpentan-2-yloxy)pyridin-2-amine?
The InChIKey is WFYAISHYQCPCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O/c1-7(2)5-8(3)17-12-10(14)6-9(13)11(15-4)16-12/h6-8H,5H2,1-4H3,(H,15,16).
What are the key properties of 3,5-difluoro-N-methyl-6-(4-methylpentan-2-yloxy)pyridin-2-amine?
3,5-difluoro-N-methyl-6-(4-methylpentan-2-yloxy)pyridin-2-amine has a molecular weight of 244.28 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-methyl-6-(4-methylpentan-2-yloxy)pyridin-2-amine is sourced from PubChem (CID 114073036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).