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

C21H20F3N7 — CID 126624904

IUPAC2-N-(1-cyclopropylprop-1-en-2-yl)-4-N-(pyridin-2-ylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
SMILESCC(=CC1CC1)Nc1nc(NCc2ccccn2)nc(-c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C21H20F3N7/c1-13(11-14-8-9-14)27-20-30-18(16-6-4-7-17(28-16)21(22,23)24)29-19(31-20)26-12-15-5-2-3-10-25-15/h2-7,10-11,14H,8-9,12H2,1H3,(H2,26,27,29,30,31)
InChIKeyYHCWXEXNBNJCHB-UHFFFAOYSA-N
MW427.43 g/mol
LogP4.69
Rot. Bonds7

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

2-N-(1-cyclopropylprop-1-en-2-yl)-4-N-(pyridin-2-ylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine (PubChem CID 126624904) has the molecular formula C21H20F3N7 and a molecular weight of 427.43 g/mol. Its IUPAC name is 2-N-(1-cyclopropylprop-1-en-2-yl)-4-N-(pyridin-2-ylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-cyclopropylprop-1-en-2-yl)-4-N-(pyridin-2-ylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
PubChem CID126624904
Molecular FormulaC21H20F3N7
Molecular Weight427.43 g/mol
Exact Mass427.17
IUPAC Name2-N-(1-cyclopropylprop-1-en-2-yl)-4-N-(pyridin-2-ylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
SMILESCC(=CC1CC1)Nc1nc(NCc2ccccn2)nc(-c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C21H20F3N7/c1-13(11-14-8-9-14)27-20-30-18(16-6-4-7-17(28-16)21(22,23)24)29-19(31-20)26-12-15-5-2-3-10-25-15/h2-7,10-11,14H,8-9,12H2,1H3,(H2,26,27,29,30,31)
InChIKeyYHCWXEXNBNJCHB-UHFFFAOYSA-N
XLogP4.69
TPSA88.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-(1-cyclopropylprop-1-en-2-yl)-4-N-(pyridin-2-ylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-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)-4-N-(pyridin-2-ylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1-cyclopropylprop-1-en-2-yl)-4-N-(pyridin-2-ylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine (CID 126624904) is 2-N-(1-cyclopropylprop-1-en-2-yl)-4-N-(pyridin-2-ylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1-cyclopropylprop-1-en-2-yl)-4-N-(pyridin-2-ylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1-cyclopropylprop-1-en-2-yl)-4-N-(pyridin-2-ylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine is CC(=CC1CC1)Nc1nc(NCc2ccccn2)nc(-c2cccc(C(F)(F)F)n2)n1.
What is the InChIKey of 2-N-(1-cyclopropylprop-1-en-2-yl)-4-N-(pyridin-2-ylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is YHCWXEXNBNJCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N7/c1-13(11-14-8-9-14)27-20-30-18(16-6-4-7-17(28-16)21(22,23)24)29-19(31-20)26-12-15-5-2-3-10-25-15/h2-7,10-11,14H,8-9,12H2,1H3,(H2,26,27,29,30,31).
What are the key properties of 2-N-(1-cyclopropylprop-1-en-2-yl)-4-N-(pyridin-2-ylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
2-N-(1-cyclopropylprop-1-en-2-yl)-4-N-(pyridin-2-ylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 427.43 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-cyclopropylprop-1-en-2-yl)-4-N-(pyridin-2-ylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 126624904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).