4-N-(5-fluoro-3-pyridinyl)-2-N-(4-methyloxolan-3-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine

C19H17F4N7O — CID 134388086

About 4-N-(5-fluoro-3-pyridinyl)-2-N-(4-methyloxolan-3-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine

4-N-(5-fluoro-3-pyridinyl)-2-N-(4-methyloxolan-3-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine (PubChem CID 134388086) has the molecular formula C19H17F4N7O and a molecular weight of 435.39 g/mol. Its IUPAC name is 4-N-(5-fluoro-3-pyridinyl)-2-N-(4-methyloxolan-3-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-(5-fluoro-3-pyridinyl)-2-N-(4-methyloxolan-3-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 134388086
• Molecular Formula: C19H17F4N7O
• Molecular Weight: 435.39 g/mol
• Exact Mass: 435.14
• IUPAC Name: 4-N-(5-fluoro-3-pyridinyl)-2-N-(4-methyloxolan-3-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
• SMILES: CC1COCC1Nc1nc(Nc2cncc(F)c2)nc(-c2cccc(C(F)(F)F)n2)n1
• InChI: InChI=1S/C19H17F4N7O/c1-10-8-31-9-14(10)27-18-29-16(13-3-2-4-15(26-13)19(21,22)23)28-17(30-18)25-12-5-11(20)6-24-7-12/h2-7,10,14H,8-9H2,1H3,(H2,25,27,28,29,30)
• InChIKey: ZOXBARIXSUAVSI-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 97.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.39
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-fluoro-3-pyridinyl)-2-N-(4-methyloxolan-3-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?

The IUPAC name of 4-N-(5-fluoro-3-pyridinyl)-2-N-(4-methyloxolan-3-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine (CID 134388086) is 4-N-(5-fluoro-3-pyridinyl)-2-N-(4-methyloxolan-3-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 4-N-(5-fluoro-3-pyridinyl)-2-N-(4-methyloxolan-3-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 4-N-(5-fluoro-3-pyridinyl)-2-N-(4-methyloxolan-3-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine is CC1COCC1Nc1nc(Nc2cncc(F)c2)nc(-c2cccc(C(F)(F)F)n2)n1.

What is the InChIKey of 4-N-(5-fluoro-3-pyridinyl)-2-N-(4-methyloxolan-3-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?

The InChIKey is ZOXBARIXSUAVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N7O/c1-10-8-31-9-14(10)27-18-29-16(13-3-2-4-15(26-13)19(21,22)23)28-17(30-18)25-12-5-11(20)6-24-7-12/h2-7,10,14H,8-9H2,1H3,(H2,25,27,28,29,30).

What are the key properties of 4-N-(5-fluoro-3-pyridinyl)-2-N-(4-methyloxolan-3-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?

4-N-(5-fluoro-3-pyridinyl)-2-N-(4-methyloxolan-3-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 435.39 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(5-fluoro-3-pyridinyl)-2-N-(4-methyloxolan-3-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 134388086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).