4-[(2R)-3-methylbutan-2-yl]-2-[(2R)-3-methylbutan-2-yl]imino-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine

C19H29F3N6 — CID 159428406

IUPAC4-[(2R)-3-methylbutan-2-yl]-2-[(2R)-3-methylbutan-2-yl]imino-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine
SMILESCC(C)[C@@H](C)C1(N)N=C(c2cccc(C(F)(F)F)n2)N/C(=N\[C@H](C)C(C)C)N1
InChIInChI=1S/C19H29F3N6/c1-10(2)12(5)19(23)27-16(26-17(28-19)24-13(6)11(3)4)14-8-7-9-15(25-14)18(20,21)22/h7-13H,23H2,1-6H3,(H2,24,26,27,28)/t12-,13-,19?/m1/s1
InChIKeyLQRAUHZMSHEMBS-XIOSEYODSA-N
MW398.48 g/mol
LogP3.34
Rot. Bonds5

About 4-[(2R)-3-methylbutan-2-yl]-2-[(2R)-3-methylbutan-2-yl]imino-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine

4-[(2R)-3-methylbutan-2-yl]-2-[(2R)-3-methylbutan-2-yl]imino-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine (PubChem CID 159428406) has the molecular formula C19H29F3N6 and a molecular weight of 398.48 g/mol. Its IUPAC name is 4-[(2R)-3-methylbutan-2-yl]-2-[(2R)-3-methylbutan-2-yl]imino-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine.

Molecular Properties

Compound Name4-[(2R)-3-methylbutan-2-yl]-2-[(2R)-3-methylbutan-2-yl]imino-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine
PubChem CID159428406
Molecular FormulaC19H29F3N6
Molecular Weight398.48 g/mol
Exact Mass398.24
IUPAC Name4-[(2R)-3-methylbutan-2-yl]-2-[(2R)-3-methylbutan-2-yl]imino-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine
SMILESCC(C)[C@@H](C)C1(N)N=C(c2cccc(C(F)(F)F)n2)N/C(=N\[C@H](C)C(C)C)N1
InChIInChI=1S/C19H29F3N6/c1-10(2)12(5)19(23)27-16(26-17(28-19)24-13(6)11(3)4)14-8-7-9-15(25-14)18(20,21)22/h7-13H,23H2,1-6H3,(H2,24,26,27,28)/t12-,13-,19?/m1/s1
InChIKeyLQRAUHZMSHEMBS-XIOSEYODSA-N
XLogP3.34
TPSA87.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-3-methylbutan-2-yl]-2-[(2R)-3-methylbutan-2-yl]imino-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine?
The IUPAC name of 4-[(2R)-3-methylbutan-2-yl]-2-[(2R)-3-methylbutan-2-yl]imino-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine (CID 159428406) is 4-[(2R)-3-methylbutan-2-yl]-2-[(2R)-3-methylbutan-2-yl]imino-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine.
What is the SMILES notation for 4-[(2R)-3-methylbutan-2-yl]-2-[(2R)-3-methylbutan-2-yl]imino-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine?
The canonical SMILES for 4-[(2R)-3-methylbutan-2-yl]-2-[(2R)-3-methylbutan-2-yl]imino-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine is CC(C)[C@@H](C)C1(N)N=C(c2cccc(C(F)(F)F)n2)N/C(=N\[C@H](C)C(C)C)N1.
What is the InChIKey of 4-[(2R)-3-methylbutan-2-yl]-2-[(2R)-3-methylbutan-2-yl]imino-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine?
The InChIKey is LQRAUHZMSHEMBS-XIOSEYODSA-N. The full InChI is InChI=1S/C19H29F3N6/c1-10(2)12(5)19(23)27-16(26-17(28-19)24-13(6)11(3)4)14-8-7-9-15(25-14)18(20,21)22/h7-13H,23H2,1-6H3,(H2,24,26,27,28)/t12-,13-,19?/m1/s1.
What are the key properties of 4-[(2R)-3-methylbutan-2-yl]-2-[(2R)-3-methylbutan-2-yl]imino-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine?
4-[(2R)-3-methylbutan-2-yl]-2-[(2R)-3-methylbutan-2-yl]imino-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine has a molecular weight of 398.48 g/mol, XLogP of 3.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-3-methylbutan-2-yl]-2-[(2R)-3-methylbutan-2-yl]imino-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine is sourced from PubChem (CID 159428406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).