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

C11H16F2N6 — CID 173105990

IUPAC(3S)-1-[4-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-amine
SMILESN[C@H]1CCN(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/t8-/m0/s1
InChIKeyVZWHPHPEXPCROJ-QMMMGPOBSA-N
MW270.29 g/mol
LogP0.25
Rot. Bonds2

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

(3S)-1-[4-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-amine (PubChem CID 173105990) has the molecular formula C11H16F2N6 and a molecular weight of 270.29 g/mol. Its IUPAC name is (3S)-1-[4-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[4-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-amine
PubChem CID173105990
Molecular FormulaC11H16F2N6
Molecular Weight270.29 g/mol
Exact Mass270.14
IUPAC Name(3S)-1-[4-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-amine
SMILESN[C@H]1CCN(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/t8-/m0/s1
InChIKeyVZWHPHPEXPCROJ-QMMMGPOBSA-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 (3S)-1-[4-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-amine?
The IUPAC name of (3S)-1-[4-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-amine (CID 173105990) is (3S)-1-[4-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[4-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[4-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-amine is N[C@H]1CCN(c2ncnc(N3CCC(F)(F)C3)n2)C1.
What is the InChIKey of (3S)-1-[4-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-amine?
The InChIKey is VZWHPHPEXPCROJ-QMMMGPOBSA-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/t8-/m0/s1.
What are the key properties of (3S)-1-[4-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-amine?
(3S)-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 (3S)-1-[4-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 173105990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).