4-N-ethyl-6-piperidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine

C12H19F3N6 — CID 80789831

IUPAC4-N-ethyl-6-piperidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC(F)(F)F)c1nc(N)nc(N2CCCCC2)n1
InChIInChI=1S/C12H19F3N6/c1-2-20(8-12(13,14)15)10-17-9(16)18-11(19-10)21-6-4-3-5-7-21/h2-8H2,1H3,(H2,16,17,18,19)
InChIKeyGXELAIKBORSRHN-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.83
Rot. Bonds4

About 4-N-ethyl-6-piperidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine

4-N-ethyl-6-piperidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80789831) has the molecular formula C12H19F3N6 and a molecular weight of 304.32 g/mol. Its IUPAC name is 4-N-ethyl-6-piperidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-piperidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80789831
Molecular FormulaC12H19F3N6
Molecular Weight304.32 g/mol
Exact Mass304.16
IUPAC Name4-N-ethyl-6-piperidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC(F)(F)F)c1nc(N)nc(N2CCCCC2)n1
InChIInChI=1S/C12H19F3N6/c1-2-20(8-12(13,14)15)10-17-9(16)18-11(19-10)21-6-4-3-5-7-21/h2-8H2,1H3,(H2,16,17,18,19)
InChIKeyGXELAIKBORSRHN-UHFFFAOYSA-N
XLogP1.83
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-ethyl-6-piperidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-N-ethyl-6-pyrrolidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80814474
4-N,4-N-diethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80767241
4-N-methyl-6-pyrrolidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80791014
4-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 107403125
4-N-methyl-6-pyrrolidin-1-yl-4-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine
CID 80847737
2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-(cyanomethyl)amino]acetonitrile
CID 80753881
6-(4,4-dimethylpiperidin-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80824382
4-N,4-N-diethyl-6-(4-propylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine
CID 80797361
1-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol
CID 79378246
4-N,4-N-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine
CID 80804954
6-[3-(dimethylamino)piperidin-1-yl]-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80833498
4-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-1,4-diazepan-2-one
CID 80842578

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-piperidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-piperidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (CID 80789831) is 4-N-ethyl-6-piperidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-piperidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-piperidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is CCN(CC(F)(F)F)c1nc(N)nc(N2CCCCC2)n1.
What is the InChIKey of 4-N-ethyl-6-piperidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is GXELAIKBORSRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N6/c1-2-20(8-12(13,14)15)10-17-9(16)18-11(19-10)21-6-4-3-5-7-21/h2-8H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-N-ethyl-6-piperidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
4-N-ethyl-6-piperidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 304.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-piperidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80789831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).