4-N-(1-cyclopropylideneethyl)-2-N-(1-phenylcyclopropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine

C23H21F3N6 — CID 126624847

IUPAC4-N-(1-cyclopropylideneethyl)-2-N-(1-phenylcyclopropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(NC2(c3ccccc3)CC2)nc(-c2cccc(C(F)(F)F)n2)n1)=C1CC1
InChIInChI=1S/C23H21F3N6/c1-14(15-10-11-15)27-20-29-19(17-8-5-9-18(28-17)23(24,25)26)30-21(31-20)32-22(12-13-22)16-6-3-2-4-7-16/h2-9H,10-13H2,1H3,(H2,27,29,30,31,32)
InChIKeySSGINKVKHAKAKQ-UHFFFAOYSA-N
MW438.46 g/mol
LogP5.53
Rot. Bonds6

About 4-N-(1-cyclopropylideneethyl)-2-N-(1-phenylcyclopropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine

4-N-(1-cyclopropylideneethyl)-2-N-(1-phenylcyclopropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine (PubChem CID 126624847) has the molecular formula C23H21F3N6 and a molecular weight of 438.46 g/mol. Its IUPAC name is 4-N-(1-cyclopropylideneethyl)-2-N-(1-phenylcyclopropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-cyclopropylideneethyl)-2-N-(1-phenylcyclopropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
PubChem CID126624847
Molecular FormulaC23H21F3N6
Molecular Weight438.46 g/mol
Exact Mass438.18
IUPAC Name4-N-(1-cyclopropylideneethyl)-2-N-(1-phenylcyclopropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(NC2(c3ccccc3)CC2)nc(-c2cccc(C(F)(F)F)n2)n1)=C1CC1
InChIInChI=1S/C23H21F3N6/c1-14(15-10-11-15)27-20-29-19(17-8-5-9-18(28-17)23(24,25)26)30-21(31-20)32-22(12-13-22)16-6-3-2-4-7-16/h2-9H,10-13H2,1H3,(H2,27,29,30,31,32)
InChIKeySSGINKVKHAKAKQ-UHFFFAOYSA-N
XLogP5.53
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.46
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-cyclopropylideneethyl)-2-N-(1-phenylcyclopropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(1-cyclopropylideneethyl)-2-N-(1-phenylcyclopropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine (CID 126624847) is 4-N-(1-cyclopropylideneethyl)-2-N-(1-phenylcyclopropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(1-cyclopropylideneethyl)-2-N-(1-phenylcyclopropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(1-cyclopropylideneethyl)-2-N-(1-phenylcyclopropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine is CC(Nc1nc(NC2(c3ccccc3)CC2)nc(-c2cccc(C(F)(F)F)n2)n1)=C1CC1.
What is the InChIKey of 4-N-(1-cyclopropylideneethyl)-2-N-(1-phenylcyclopropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is SSGINKVKHAKAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6/c1-14(15-10-11-15)27-20-29-19(17-8-5-9-18(28-17)23(24,25)26)30-21(31-20)32-22(12-13-22)16-6-3-2-4-7-16/h2-9H,10-13H2,1H3,(H2,27,29,30,31,32).
What are the key properties of 4-N-(1-cyclopropylideneethyl)-2-N-(1-phenylcyclopropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
4-N-(1-cyclopropylideneethyl)-2-N-(1-phenylcyclopropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 438.46 g/mol, XLogP of 5.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-cyclopropylideneethyl)-2-N-(1-phenylcyclopropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 126624847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).