1-[4-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-amine

C11H16F2N6 — CID 126516950

IUPAC1-[4-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-amine
SMILESNC1CCN(c2ncnc(N3CCC(F)(F)C3)n2)C1
InChIInChI=1S/C11H16F2N6/c12-11(13)2-4-19(6-11)10-16-7-15-9(17-10)18-3-1-8(14)5-18/h7-8H,1-6,14H2
InChIKeyVZWHPHPEXPCROJ-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.25
Rot. Bonds2

About 1-[4-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-amine

1-[4-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-amine (PubChem CID 126516950) has the molecular formula C11H16F2N6 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-[4-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[4-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-amine
PubChem CID126516950
Molecular FormulaC11H16F2N6
Molecular Weight270.29 g/mol
Exact Mass270.14
IUPAC Name1-[4-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-amine
SMILESNC1CCN(c2ncnc(N3CCC(F)(F)C3)n2)C1
InChIInChI=1S/C11H16F2N6/c12-11(13)2-4-19(6-11)10-16-7-15-9(17-10)18-3-1-8(14)5-18/h7-8H,1-6,14H2
InChIKeyVZWHPHPEXPCROJ-UHFFFAOYSA-N
XLogP0.25
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-amine?
The IUPAC name of 1-[4-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-amine (CID 126516950) is 1-[4-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[4-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-amine?
The canonical SMILES for 1-[4-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-amine is NC1CCN(c2ncnc(N3CCC(F)(F)C3)n2)C1.
What is the InChIKey of 1-[4-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-amine?
The InChIKey is VZWHPHPEXPCROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N6/c12-11(13)2-4-19(6-11)10-16-7-15-9(17-10)18-3-1-8(14)5-18/h7-8H,1-6,14H2.
What are the key properties of 1-[4-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-amine?
1-[4-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-amine has a molecular weight of 270.29 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 126516950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).