6-N-[4-(dimethylamino)butan-2-yl]-3,5-difluoro-2-N-methylpyridine-2,6-diamine

C12H20F2N4 — CID 114074306

IUPAC6-N-[4-(dimethylamino)butan-2-yl]-3,5-difluoro-2-N-methylpyridine-2,6-diamine
SMILESCNc1nc(NC(C)CCN(C)C)c(F)cc1F
InChIInChI=1S/C12H20F2N4/c1-8(5-6-18(3)4)16-12-10(14)7-9(13)11(15-2)17-12/h7-8H,5-6H2,1-4H3,(H2,15,16,17)
InChIKeyIXZRAQDGDKIMGF-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.15
Rot. Bonds6

About 6-N-[4-(dimethylamino)butan-2-yl]-3,5-difluoro-2-N-methylpyridine-2,6-diamine

6-N-[4-(dimethylamino)butan-2-yl]-3,5-difluoro-2-N-methylpyridine-2,6-diamine (PubChem CID 114074306) has the molecular formula C12H20F2N4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-N-[4-(dimethylamino)butan-2-yl]-3,5-difluoro-2-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[4-(dimethylamino)butan-2-yl]-3,5-difluoro-2-N-methylpyridine-2,6-diamine
PubChem CID114074306
Molecular FormulaC12H20F2N4
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC Name6-N-[4-(dimethylamino)butan-2-yl]-3,5-difluoro-2-N-methylpyridine-2,6-diamine
SMILESCNc1nc(NC(C)CCN(C)C)c(F)cc1F
InChIInChI=1S/C12H20F2N4/c1-8(5-6-18(3)4)16-12-10(14)7-9(13)11(15-2)17-12/h7-8H,5-6H2,1-4H3,(H2,15,16,17)
InChIKeyIXZRAQDGDKIMGF-UHFFFAOYSA-N
XLogP2.15
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-[4-(dimethylamino)butan-2-yl]-3,5-difluoro-2-N-methylpyridine-2,6-diamine?
The IUPAC name of 6-N-[4-(dimethylamino)butan-2-yl]-3,5-difluoro-2-N-methylpyridine-2,6-diamine (CID 114074306) is 6-N-[4-(dimethylamino)butan-2-yl]-3,5-difluoro-2-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-[4-(dimethylamino)butan-2-yl]-3,5-difluoro-2-N-methylpyridine-2,6-diamine?
The canonical SMILES for 6-N-[4-(dimethylamino)butan-2-yl]-3,5-difluoro-2-N-methylpyridine-2,6-diamine is CNc1nc(NC(C)CCN(C)C)c(F)cc1F.
What is the InChIKey of 6-N-[4-(dimethylamino)butan-2-yl]-3,5-difluoro-2-N-methylpyridine-2,6-diamine?
The InChIKey is IXZRAQDGDKIMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N4/c1-8(5-6-18(3)4)16-12-10(14)7-9(13)11(15-2)17-12/h7-8H,5-6H2,1-4H3,(H2,15,16,17).
What are the key properties of 6-N-[4-(dimethylamino)butan-2-yl]-3,5-difluoro-2-N-methylpyridine-2,6-diamine?
6-N-[4-(dimethylamino)butan-2-yl]-3,5-difluoro-2-N-methylpyridine-2,6-diamine has a molecular weight of 258.32 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[4-(dimethylamino)butan-2-yl]-3,5-difluoro-2-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 114074306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).