2-N-(1-cyclopropylprop-1-en-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine

C18H18F6N6 — CID 129049009

IUPAC2-N-(1-cyclopropylprop-1-en-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(=CC1CC1)Nc1nc(NC(C)C(F)(F)F)nc(-c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C18H18F6N6/c1-9(8-11-6-7-11)25-15-28-14(12-4-3-5-13(27-12)18(22,23)24)29-16(30-15)26-10(2)17(19,20)21/h3-5,8,10-11H,6-7H2,1-2H3,(H2,25,26,28,29,30)
InChIKeyFIACHPCCKFLZDR-UHFFFAOYSA-N
MW432.37 g/mol
LogP5.04
Rot. Bonds6

About 2-N-(1-cyclopropylprop-1-en-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine

2-N-(1-cyclopropylprop-1-en-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 129049009) has the molecular formula C18H18F6N6 and a molecular weight of 432.37 g/mol. Its IUPAC name is 2-N-(1-cyclopropylprop-1-en-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-cyclopropylprop-1-en-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID129049009
Molecular FormulaC18H18F6N6
Molecular Weight432.37 g/mol
Exact Mass432.15
IUPAC Name2-N-(1-cyclopropylprop-1-en-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(=CC1CC1)Nc1nc(NC(C)C(F)(F)F)nc(-c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C18H18F6N6/c1-9(8-11-6-7-11)25-15-28-14(12-4-3-5-13(27-12)18(22,23)24)29-16(30-15)26-10(2)17(19,20)21/h3-5,8,10-11H,6-7H2,1-2H3,(H2,25,26,28,29,30)
InChIKeyFIACHPCCKFLZDR-UHFFFAOYSA-N
XLogP5.04
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.37
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(1-cyclopropylprop-1-en-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-cyclopropylprop-1-en-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1-cyclopropylprop-1-en-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (CID 129049009) is 2-N-(1-cyclopropylprop-1-en-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1-cyclopropylprop-1-en-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1-cyclopropylprop-1-en-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is CC(=CC1CC1)Nc1nc(NC(C)C(F)(F)F)nc(-c2cccc(C(F)(F)F)n2)n1.
What is the InChIKey of 2-N-(1-cyclopropylprop-1-en-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is FIACHPCCKFLZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F6N6/c1-9(8-11-6-7-11)25-15-28-14(12-4-3-5-13(27-12)18(22,23)24)29-16(30-15)26-10(2)17(19,20)21/h3-5,8,10-11H,6-7H2,1-2H3,(H2,25,26,28,29,30).
What are the key properties of 2-N-(1-cyclopropylprop-1-en-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
2-N-(1-cyclopropylprop-1-en-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 432.37 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-cyclopropylprop-1-en-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 129049009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).