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

C18H15F6N7 — CID 162592292

IUPAC4-N-propyl-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C18H15F6N7/c1-2-7-26-15-29-14(11-4-3-5-12(28-11)17(19,20)21)30-16(31-15)27-10-6-8-25-13(9-10)18(22,23)24/h3-6,8-9H,2,7H2,1H3,(H2,25,26,27,29,30,31)
InChIKeyAMGYZRFFEDCRKS-UHFFFAOYSA-N
MW443.36 g/mol
LogP4.93
Rot. Bonds6

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

4-N-propyl-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine (PubChem CID 162592292) has the molecular formula C18H15F6N7 and a molecular weight of 443.36 g/mol. Its IUPAC name is 4-N-propyl-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-propyl-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
PubChem CID162592292
Molecular FormulaC18H15F6N7
Molecular Weight443.36 g/mol
Exact Mass443.13
IUPAC Name4-N-propyl-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C18H15F6N7/c1-2-7-26-15-29-14(11-4-3-5-12(28-11)17(19,20)21)30-16(31-15)27-10-6-8-25-13(9-10)18(22,23)24/h3-6,8-9H,2,7H2,1H3,(H2,25,26,27,29,30,31)
InChIKeyAMGYZRFFEDCRKS-UHFFFAOYSA-N
XLogP4.93
TPSA88.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.36
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-propyl-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-propyl-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine (CID 162592292) is 4-N-propyl-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-propyl-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-propyl-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine is CCCNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1.
What is the InChIKey of 4-N-propyl-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is AMGYZRFFEDCRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F6N7/c1-2-7-26-15-29-14(11-4-3-5-12(28-11)17(19,20)21)30-16(31-15)27-10-6-8-25-13(9-10)18(22,23)24/h3-6,8-9H,2,7H2,1H3,(H2,25,26,27,29,30,31).
What are the key properties of 4-N-propyl-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
4-N-propyl-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 443.36 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-propyl-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 162592292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).