6-(2,4-dimethyl-1,4-diazepan-1-yl)-3,5-difluoropyridin-2-amine

C12H18F2N4 — CID 114088550

IUPAC6-(2,4-dimethyl-1,4-diazepan-1-yl)-3,5-difluoropyridin-2-amine
SMILESCC1CN(C)CCCN1c1nc(N)c(F)cc1F
InChIInChI=1S/C12H18F2N4/c1-8-7-17(2)4-3-5-18(8)12-10(14)6-9(13)11(15)16-12/h6,8H,3-5,7H2,1-2H3,(H2,15,16)
InChIKeyWVXPRIPUZKZGEN-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.47
Rot. Bonds1

About 6-(2,4-dimethyl-1,4-diazepan-1-yl)-3,5-difluoropyridin-2-amine

6-(2,4-dimethyl-1,4-diazepan-1-yl)-3,5-difluoropyridin-2-amine (PubChem CID 114088550) has the molecular formula C12H18F2N4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 6-(2,4-dimethyl-1,4-diazepan-1-yl)-3,5-difluoropyridin-2-amine.

Molecular Properties

Compound Name6-(2,4-dimethyl-1,4-diazepan-1-yl)-3,5-difluoropyridin-2-amine
PubChem CID114088550
Molecular FormulaC12H18F2N4
Molecular Weight256.30 g/mol
Exact Mass256.15
IUPAC Name6-(2,4-dimethyl-1,4-diazepan-1-yl)-3,5-difluoropyridin-2-amine
SMILESCC1CN(C)CCCN1c1nc(N)c(F)cc1F
InChIInChI=1S/C12H18F2N4/c1-8-7-17(2)4-3-5-18(8)12-10(14)6-9(13)11(15)16-12/h6,8H,3-5,7H2,1-2H3,(H2,15,16)
InChIKeyWVXPRIPUZKZGEN-UHFFFAOYSA-N
XLogP1.47
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethyl-1,4-diazepan-1-yl)-3,5-difluoropyridin-2-amine?
The IUPAC name of 6-(2,4-dimethyl-1,4-diazepan-1-yl)-3,5-difluoropyridin-2-amine (CID 114088550) is 6-(2,4-dimethyl-1,4-diazepan-1-yl)-3,5-difluoropyridin-2-amine.
What is the SMILES notation for 6-(2,4-dimethyl-1,4-diazepan-1-yl)-3,5-difluoropyridin-2-amine?
The canonical SMILES for 6-(2,4-dimethyl-1,4-diazepan-1-yl)-3,5-difluoropyridin-2-amine is CC1CN(C)CCCN1c1nc(N)c(F)cc1F.
What is the InChIKey of 6-(2,4-dimethyl-1,4-diazepan-1-yl)-3,5-difluoropyridin-2-amine?
The InChIKey is WVXPRIPUZKZGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N4/c1-8-7-17(2)4-3-5-18(8)12-10(14)6-9(13)11(15)16-12/h6,8H,3-5,7H2,1-2H3,(H2,15,16).
What are the key properties of 6-(2,4-dimethyl-1,4-diazepan-1-yl)-3,5-difluoropyridin-2-amine?
6-(2,4-dimethyl-1,4-diazepan-1-yl)-3,5-difluoropyridin-2-amine has a molecular weight of 256.30 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethyl-1,4-diazepan-1-yl)-3,5-difluoropyridin-2-amine is sourced from PubChem (CID 114088550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).