4-chloro-6-[(1R)-1-[4-(2,2-difluoroethyl)piperazin-1-yl]ethyl]-1,3,5-triazin-2-amine

C11H17ClF2N6 — CID 124885874

IUPAC4-chloro-6-[(1R)-1-[4-(2,2-difluoroethyl)piperazin-1-yl]ethyl]-1,3,5-triazin-2-amine
SMILESC[C@H](c1nc(N)nc(Cl)n1)N1CCN(CC(F)F)CC1
InChIInChI=1S/C11H17ClF2N6/c1-7(9-16-10(12)18-11(15)17-9)20-4-2-19(3-5-20)6-8(13)14/h7-8H,2-6H2,1H3,(H2,15,16,17,18)/t7-/m1/s1
InChIKeyBWHITPLUOQNOEK-SSDOTTSWSA-N
MW306.75 g/mol
LogP1.05
Rot. Bonds4

About 4-chloro-6-[(1R)-1-[4-(2,2-difluoroethyl)piperazin-1-yl]ethyl]-1,3,5-triazin-2-amine

4-chloro-6-[(1R)-1-[4-(2,2-difluoroethyl)piperazin-1-yl]ethyl]-1,3,5-triazin-2-amine (PubChem CID 124885874) has the molecular formula C11H17ClF2N6 and a molecular weight of 306.75 g/mol. Its IUPAC name is 4-chloro-6-[(1R)-1-[4-(2,2-difluoroethyl)piperazin-1-yl]ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[(1R)-1-[4-(2,2-difluoroethyl)piperazin-1-yl]ethyl]-1,3,5-triazin-2-amine
PubChem CID124885874
Molecular FormulaC11H17ClF2N6
Molecular Weight306.75 g/mol
Exact Mass306.12
IUPAC Name4-chloro-6-[(1R)-1-[4-(2,2-difluoroethyl)piperazin-1-yl]ethyl]-1,3,5-triazin-2-amine
SMILESC[C@H](c1nc(N)nc(Cl)n1)N1CCN(CC(F)F)CC1
InChIInChI=1S/C11H17ClF2N6/c1-7(9-16-10(12)18-11(15)17-9)20-4-2-19(3-5-20)6-8(13)14/h7-8H,2-6H2,1H3,(H2,15,16,17,18)/t7-/m1/s1
InChIKeyBWHITPLUOQNOEK-SSDOTTSWSA-N
XLogP1.05
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(1R)-1-[4-(2,2-difluoroethyl)piperazin-1-yl]ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[(1R)-1-[4-(2,2-difluoroethyl)piperazin-1-yl]ethyl]-1,3,5-triazin-2-amine (CID 124885874) is 4-chloro-6-[(1R)-1-[4-(2,2-difluoroethyl)piperazin-1-yl]ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[(1R)-1-[4-(2,2-difluoroethyl)piperazin-1-yl]ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[(1R)-1-[4-(2,2-difluoroethyl)piperazin-1-yl]ethyl]-1,3,5-triazin-2-amine is C[C@H](c1nc(N)nc(Cl)n1)N1CCN(CC(F)F)CC1.
What is the InChIKey of 4-chloro-6-[(1R)-1-[4-(2,2-difluoroethyl)piperazin-1-yl]ethyl]-1,3,5-triazin-2-amine?
The InChIKey is BWHITPLUOQNOEK-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H17ClF2N6/c1-7(9-16-10(12)18-11(15)17-9)20-4-2-19(3-5-20)6-8(13)14/h7-8H,2-6H2,1H3,(H2,15,16,17,18)/t7-/m1/s1.
What are the key properties of 4-chloro-6-[(1R)-1-[4-(2,2-difluoroethyl)piperazin-1-yl]ethyl]-1,3,5-triazin-2-amine?
4-chloro-6-[(1R)-1-[4-(2,2-difluoroethyl)piperazin-1-yl]ethyl]-1,3,5-triazin-2-amine has a molecular weight of 306.75 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(1R)-1-[4-(2,2-difluoroethyl)piperazin-1-yl]ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 124885874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).