4-(1,4-diazepan-1-yl)-N-(2,2-difluoropropyl)-1,3,5-triazin-2-amine

C11H18F2N6 — CID 156717762

IUPAC4-(1,4-diazepan-1-yl)-N-(2,2-difluoropropyl)-1,3,5-triazin-2-amine
SMILESCC(F)(F)CNc1ncnc(N2CCCNCC2)n1
InChIInChI=1S/C11H18F2N6/c1-11(12,13)7-15-9-16-8-17-10(18-9)19-5-2-3-14-4-6-19/h8,14H,2-7H2,1H3,(H,15,16,17,18)
InChIKeyKYHZKTTUBVRZTE-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.74
Rot. Bonds4

About 4-(1,4-diazepan-1-yl)-N-(2,2-difluoropropyl)-1,3,5-triazin-2-amine

4-(1,4-diazepan-1-yl)-N-(2,2-difluoropropyl)-1,3,5-triazin-2-amine (PubChem CID 156717762) has the molecular formula C11H18F2N6 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-(1,4-diazepan-1-yl)-N-(2,2-difluoropropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1,4-diazepan-1-yl)-N-(2,2-difluoropropyl)-1,3,5-triazin-2-amine
PubChem CID156717762
Molecular FormulaC11H18F2N6
Molecular Weight272.30 g/mol
Exact Mass272.16
IUPAC Name4-(1,4-diazepan-1-yl)-N-(2,2-difluoropropyl)-1,3,5-triazin-2-amine
SMILESCC(F)(F)CNc1ncnc(N2CCCNCC2)n1
InChIInChI=1S/C11H18F2N6/c1-11(12,13)7-15-9-16-8-17-10(18-9)19-5-2-3-14-4-6-19/h8,14H,2-7H2,1H3,(H,15,16,17,18)
InChIKeyKYHZKTTUBVRZTE-UHFFFAOYSA-N
XLogP0.74
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-diazepan-1-yl)-N-(2,2-difluoropropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1,4-diazepan-1-yl)-N-(2,2-difluoropropyl)-1,3,5-triazin-2-amine (CID 156717762) is 4-(1,4-diazepan-1-yl)-N-(2,2-difluoropropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1,4-diazepan-1-yl)-N-(2,2-difluoropropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1,4-diazepan-1-yl)-N-(2,2-difluoropropyl)-1,3,5-triazin-2-amine is CC(F)(F)CNc1ncnc(N2CCCNCC2)n1.
What is the InChIKey of 4-(1,4-diazepan-1-yl)-N-(2,2-difluoropropyl)-1,3,5-triazin-2-amine?
The InChIKey is KYHZKTTUBVRZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N6/c1-11(12,13)7-15-9-16-8-17-10(18-9)19-5-2-3-14-4-6-19/h8,14H,2-7H2,1H3,(H,15,16,17,18).
What are the key properties of 4-(1,4-diazepan-1-yl)-N-(2,2-difluoropropyl)-1,3,5-triazin-2-amine?
4-(1,4-diazepan-1-yl)-N-(2,2-difluoropropyl)-1,3,5-triazin-2-amine has a molecular weight of 272.30 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-diazepan-1-yl)-N-(2,2-difluoropropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 156717762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).