6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-4-N-methyl-4-N-propan-2-yl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

C23H26ClF3N8 — CID 11627570

IUPAC6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-4-N-methyl-4-N-propan-2-yl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)N(C)c1nc(Nc2ccc(C(F)(F)F)cc2)nc(N2CCN(c3ncccc3Cl)CC2)n1
InChIInChI=1S/C23H26ClF3N8/c1-15(2)33(3)21-30-20(29-17-8-6-16(7-9-17)23(25,26)27)31-22(32-21)35-13-11-34(12-14-35)19-18(24)5-4-10-28-19/h4-10,15H,11-14H2,1-3H3,(H,29,30,31,32)
InChIKeyAXZAQOKYOQDWLX-UHFFFAOYSA-N
MW506.96 g/mol
LogP4.85
Rot. Bonds6

About 6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-4-N-methyl-4-N-propan-2-yl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-4-N-methyl-4-N-propan-2-yl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 11627570) has the molecular formula C23H26ClF3N8 and a molecular weight of 506.96 g/mol. Its IUPAC name is 6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-4-N-methyl-4-N-propan-2-yl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-4-N-methyl-4-N-propan-2-yl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID11627570
Molecular FormulaC23H26ClF3N8
Molecular Weight506.96 g/mol
Exact Mass506.19
IUPAC Name6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-4-N-methyl-4-N-propan-2-yl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)N(C)c1nc(Nc2ccc(C(F)(F)F)cc2)nc(N2CCN(c3ncccc3Cl)CC2)n1
InChIInChI=1S/C23H26ClF3N8/c1-15(2)33(3)21-30-20(29-17-8-6-16(7-9-17)23(25,26)27)31-22(32-21)35-13-11-34(12-14-35)19-18(24)5-4-10-28-19/h4-10,15H,11-14H2,1-3H3,(H,29,30,31,32)
InChIKeyAXZAQOKYOQDWLX-UHFFFAOYSA-N
XLogP4.85
TPSA73.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.96
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-4-N-methyl-4-N-propan-2-yl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-4-N-methyl-4-N-propan-2-yl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-4-N-methyl-4-N-propan-2-yl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (CID 11627570) is 6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-4-N-methyl-4-N-propan-2-yl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-4-N-methyl-4-N-propan-2-yl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-4-N-methyl-4-N-propan-2-yl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is CC(C)N(C)c1nc(Nc2ccc(C(F)(F)F)cc2)nc(N2CCN(c3ncccc3Cl)CC2)n1.
What is the InChIKey of 6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-4-N-methyl-4-N-propan-2-yl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is AXZAQOKYOQDWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClF3N8/c1-15(2)33(3)21-30-20(29-17-8-6-16(7-9-17)23(25,26)27)31-22(32-21)35-13-11-34(12-14-35)19-18(24)5-4-10-28-19/h4-10,15H,11-14H2,1-3H3,(H,29,30,31,32).
What are the key properties of 6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-4-N-methyl-4-N-propan-2-yl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-4-N-methyl-4-N-propan-2-yl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 506.96 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-4-N-methyl-4-N-propan-2-yl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 11627570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).