3,5-difluoro-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine

C11H15F2N3O — CID 114131324

IUPAC3,5-difluoro-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine
SMILESNc1nc(NCCC2CCOC2)c(F)cc1F
InChIInChI=1S/C11H15F2N3O/c12-8-5-9(13)11(16-10(8)14)15-3-1-7-2-4-17-6-7/h5,7H,1-4,6H2,(H3,14,15,16)
InChIKeyFROVWTLYCDHINP-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.78
Rot. Bonds4

About 3,5-difluoro-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine

3,5-difluoro-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine (PubChem CID 114131324) has the molecular formula C11H15F2N3O and a molecular weight of 243.26 g/mol. Its IUPAC name is 3,5-difluoro-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-difluoro-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine
PubChem CID114131324
Molecular FormulaC11H15F2N3O
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name3,5-difluoro-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine
SMILESNc1nc(NCCC2CCOC2)c(F)cc1F
InChIInChI=1S/C11H15F2N3O/c12-8-5-9(13)11(16-10(8)14)15-3-1-7-2-4-17-6-7/h5,7H,1-4,6H2,(H3,14,15,16)
InChIKeyFROVWTLYCDHINP-UHFFFAOYSA-N
XLogP1.78
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-difluoro-6-N-(oxan-4-ylmethyl)pyridine-2,6-diamine
CID 114074477
3,5-difluoro-1-N-[2-(oxolan-3-yl)ethyl]benzene-1,2-diamine
CID 114129599
3,5-dichloro-2-N-methyl-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine
CID 114131325
6-N-[2-(oxolan-3-yl)ethyl]-7H-purine-2,6-diamine
CID 104623942
5-nitro-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine
CID 114131309
6-ethyl-5-fluoro-N-[2-(oxolan-3-yl)ethyl]pyrimidin-4-amine
CID 113413503
6-methoxy-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-2,4-diamine
CID 114131179
5-methoxy-3-N-[2-(oxolan-3-yl)ethyl]benzene-1,3-diamine
CID 114129611
6-fluoro-N-[2-(oxolan-3-yl)ethyl]-1,3-benzothiazol-2-amine
CID 114131519
6-N,2,5-trimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine
CID 114131306
2-N,5-dimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-2,4-diamine
CID 114131301
2,6-difluoro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
CID 62823821

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine?
The IUPAC name of 3,5-difluoro-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine (CID 114131324) is 3,5-difluoro-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine.
What is the SMILES notation for 3,5-difluoro-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine?
The canonical SMILES for 3,5-difluoro-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine is Nc1nc(NCCC2CCOC2)c(F)cc1F.
What is the InChIKey of 3,5-difluoro-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine?
The InChIKey is FROVWTLYCDHINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O/c12-8-5-9(13)11(16-10(8)14)15-3-1-7-2-4-17-6-7/h5,7H,1-4,6H2,(H3,14,15,16).
What are the key properties of 3,5-difluoro-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine?
3,5-difluoro-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine has a molecular weight of 243.26 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine is sourced from PubChem (CID 114131324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).