2-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide

C18H22F3N7O — CID 123709670

IUPAC2-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
SMILESCC(Nc1nc(NCC(=O)N(C)C)nc(-c2cccc(C(F)(F)F)n2)n1)C1CC1
InChIInChI=1S/C18H22F3N7O/c1-10(11-7-8-11)23-17-26-15(12-5-4-6-13(24-12)18(19,20)21)25-16(27-17)22-9-14(29)28(2)3/h4-6,10-11H,7-9H2,1-3H3,(H2,22,23,25,26,27)
InChIKeyLOFOLVJAKFWFLS-UHFFFAOYSA-N
MW409.42 g/mol
LogP2.66
Rot. Bonds7

About 2-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide

2-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide (PubChem CID 123709670) has the molecular formula C18H22F3N7O and a molecular weight of 409.42 g/mol. Its IUPAC name is 2-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
PubChem CID123709670
Molecular FormulaC18H22F3N7O
Molecular Weight409.42 g/mol
Exact Mass409.18
IUPAC Name2-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
SMILESCC(Nc1nc(NCC(=O)N(C)C)nc(-c2cccc(C(F)(F)F)n2)n1)C1CC1
InChIInChI=1S/C18H22F3N7O/c1-10(11-7-8-11)23-17-26-15(12-5-4-6-13(24-12)18(19,20)21)25-16(27-17)22-9-14(29)28(2)3/h4-6,10-11H,7-9H2,1-3H3,(H2,22,23,25,26,27)
InChIKeyLOFOLVJAKFWFLS-UHFFFAOYSA-N
XLogP2.66
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide (CID 123709670) is 2-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide is CC(Nc1nc(NCC(=O)N(C)C)nc(-c2cccc(C(F)(F)F)n2)n1)C1CC1.
What is the InChIKey of 2-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide?
The InChIKey is LOFOLVJAKFWFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N7O/c1-10(11-7-8-11)23-17-26-15(12-5-4-6-13(24-12)18(19,20)21)25-16(27-17)22-9-14(29)28(2)3/h4-6,10-11H,7-9H2,1-3H3,(H2,22,23,25,26,27).
What are the key properties of 2-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide?
2-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide has a molecular weight of 409.42 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 123709670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).