6-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-2-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-N-propyl-1,3,5-triazine-2,4-diamine

C25H26ClF7N8 — CID 11707070

About 6-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-2-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-N-propyl-1,3,5-triazine-2,4-diamine

6-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-2-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 11707070) has the molecular formula C25H26ClF7N8 and a molecular weight of 606.98 g/mol. Its IUPAC name is 6-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-2-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 6-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-2-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
• PubChem CID: 11707070
• Molecular Formula: C25H26ClF7N8
• Molecular Weight: 606.98 g/mol
• Exact Mass: 606.19
• IUPAC Name: 6-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-2-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
• SMILES: CCCNc1nc(Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)nc(N2CCN(c3ncccc3Cl)C[C@H]2C)n1
• InChI: InChI=1S/C25H26ClF7N8/c1-3-10-35-20-37-21(36-17-8-6-16(7-9-17)23(27,24(28,29)30)25(31,32)33)39-22(38-20)41-13-12-40(14-15(41)2)19-18(26)5-4-11-34-19/h4-9,11,15H,3,10,12-14H2,1-2H3,(H2,35,36,37,38,39)/t15-/m1/s1
• InChIKey: JQVGSNINXRKYOO-OAHLLOKOSA-N
• XLogP: 6.49
• TPSA: 82.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.98
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-2-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-N-propyl-1,3,5-triazine-2,4-diamine?

The IUPAC name of 6-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-2-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 11707070) is 6-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-2-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-N-propyl-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 6-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-2-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-N-propyl-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 6-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-2-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)nc(N2CCN(c3ncccc3Cl)C[C@H]2C)n1.

What is the InChIKey of 6-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-2-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-N-propyl-1,3,5-triazine-2,4-diamine?

The InChIKey is JQVGSNINXRKYOO-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H26ClF7N8/c1-3-10-35-20-37-21(36-17-8-6-16(7-9-17)23(27,24(28,29)30)25(31,32)33)39-22(38-20)41-13-12-40(14-15(41)2)19-18(26)5-4-11-34-19/h4-9,11,15H,3,10,12-14H2,1-2H3,(H2,35,36,37,38,39)/t15-/m1/s1.

What are the key properties of 6-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-2-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-N-propyl-1,3,5-triazine-2,4-diamine?

6-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-2-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 606.98 g/mol, XLogP of 6.49, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-2-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 11707070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).