2-N,2-N-dimethyl-6-propan-2-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3,5-triazine-2,4-diamine

C16H27F3N6 — CID 133486853

IUPAC2-N,2-N-dimethyl-6-propan-2-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)c1nc(NCC2CCN(CC(F)(F)F)CC2)nc(N(C)C)n1
InChIInChI=1S/C16H27F3N6/c1-11(2)13-21-14(23-15(22-13)24(3)4)20-9-12-5-7-25(8-6-12)10-16(17,18)19/h11-12H,5-10H2,1-4H3,(H,20,21,22,23)
InChIKeySAEJJXSKLYQLMM-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.75
Rot. Bonds6

About 2-N,2-N-dimethyl-6-propan-2-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-propan-2-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 133486853) has the molecular formula C16H27F3N6 and a molecular weight of 360.43 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-propan-2-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-propan-2-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3,5-triazine-2,4-diamine
PubChem CID133486853
Molecular FormulaC16H27F3N6
Molecular Weight360.43 g/mol
Exact Mass360.22
IUPAC Name2-N,2-N-dimethyl-6-propan-2-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)c1nc(NCC2CCN(CC(F)(F)F)CC2)nc(N(C)C)n1
InChIInChI=1S/C16H27F3N6/c1-11(2)13-21-14(23-15(22-13)24(3)4)20-9-12-5-7-25(8-6-12)10-16(17,18)19/h11-12H,5-10H2,1-4H3,(H,20,21,22,23)
InChIKeySAEJJXSKLYQLMM-UHFFFAOYSA-N
XLogP2.75
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N,2-N-dimethyl-6-propan-2-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-propan-2-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-propan-2-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3,5-triazine-2,4-diamine (CID 133486853) is 2-N,2-N-dimethyl-6-propan-2-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-propan-2-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-propan-2-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3,5-triazine-2,4-diamine is CC(C)c1nc(NCC2CCN(CC(F)(F)F)CC2)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N-dimethyl-6-propan-2-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is SAEJJXSKLYQLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N6/c1-11(2)13-21-14(23-15(22-13)24(3)4)20-9-12-5-7-25(8-6-12)10-16(17,18)19/h11-12H,5-10H2,1-4H3,(H,20,21,22,23).
What are the key properties of 2-N,2-N-dimethyl-6-propan-2-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-propan-2-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 360.43 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-propan-2-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 133486853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).