4-[(1R)-1-cyclopropylethyl]-2-(1-piperidin-1-ylpropan-2-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine

C22H32F3N7 — CID 154243283

IUPAC4-[(1R)-1-cyclopropylethyl]-2-(1-piperidin-1-ylpropan-2-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine
SMILESCC(CN1CCCCC1)/N=C1\NC(c2cccc(C(F)(F)F)n2)=NC(N)([C@H](C)C2CC2)N1
InChIInChI=1S/C22H32F3N7/c1-14(13-32-11-4-3-5-12-32)27-20-29-19(17-7-6-8-18(28-17)21(23,24)25)30-22(26,31-20)15(2)16-9-10-16/h6-8,14-16H,3-5,9-13,26H2,1-2H3,(H2,27,29,30,31)/t14?,15-,22?/m1/s1
InChIKeyZKXYWUHJSYTANJ-HEOKHYPTSA-N
MW451.54 g/mol
LogP2.93
Rot. Bonds6

About 4-[(1R)-1-cyclopropylethyl]-2-(1-piperidin-1-ylpropan-2-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine

4-[(1R)-1-cyclopropylethyl]-2-(1-piperidin-1-ylpropan-2-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine (PubChem CID 154243283) has the molecular formula C22H32F3N7 and a molecular weight of 451.54 g/mol. Its IUPAC name is 4-[(1R)-1-cyclopropylethyl]-2-(1-piperidin-1-ylpropan-2-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine.

Molecular Properties

Compound Name4-[(1R)-1-cyclopropylethyl]-2-(1-piperidin-1-ylpropan-2-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine
PubChem CID154243283
Molecular FormulaC22H32F3N7
Molecular Weight451.54 g/mol
Exact Mass451.27
IUPAC Name4-[(1R)-1-cyclopropylethyl]-2-(1-piperidin-1-ylpropan-2-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine
SMILESCC(CN1CCCCC1)/N=C1\NC(c2cccc(C(F)(F)F)n2)=NC(N)([C@H](C)C2CC2)N1
InChIInChI=1S/C22H32F3N7/c1-14(13-32-11-4-3-5-12-32)27-20-29-19(17-7-6-8-18(28-17)21(23,24)25)30-22(26,31-20)15(2)16-9-10-16/h6-8,14-16H,3-5,9-13,26H2,1-2H3,(H2,27,29,30,31)/t14?,15-,22?/m1/s1
InChIKeyZKXYWUHJSYTANJ-HEOKHYPTSA-N
XLogP2.93
TPSA90.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.54
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-cyclopropylethyl]-2-(1-piperidin-1-ylpropan-2-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine?
The IUPAC name of 4-[(1R)-1-cyclopropylethyl]-2-(1-piperidin-1-ylpropan-2-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine (CID 154243283) is 4-[(1R)-1-cyclopropylethyl]-2-(1-piperidin-1-ylpropan-2-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine.
What is the SMILES notation for 4-[(1R)-1-cyclopropylethyl]-2-(1-piperidin-1-ylpropan-2-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine?
The canonical SMILES for 4-[(1R)-1-cyclopropylethyl]-2-(1-piperidin-1-ylpropan-2-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine is CC(CN1CCCCC1)/N=C1\NC(c2cccc(C(F)(F)F)n2)=NC(N)([C@H](C)C2CC2)N1.
What is the InChIKey of 4-[(1R)-1-cyclopropylethyl]-2-(1-piperidin-1-ylpropan-2-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine?
The InChIKey is ZKXYWUHJSYTANJ-HEOKHYPTSA-N. The full InChI is InChI=1S/C22H32F3N7/c1-14(13-32-11-4-3-5-12-32)27-20-29-19(17-7-6-8-18(28-17)21(23,24)25)30-22(26,31-20)15(2)16-9-10-16/h6-8,14-16H,3-5,9-13,26H2,1-2H3,(H2,27,29,30,31)/t14?,15-,22?/m1/s1.
What are the key properties of 4-[(1R)-1-cyclopropylethyl]-2-(1-piperidin-1-ylpropan-2-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine?
4-[(1R)-1-cyclopropylethyl]-2-(1-piperidin-1-ylpropan-2-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine has a molecular weight of 451.54 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-cyclopropylethyl]-2-(1-piperidin-1-ylpropan-2-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine is sourced from PubChem (CID 154243283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).