6-[6-(1,1-difluoroethyl)-2-pyridinyl]-4-N-[2-(difluoromethyl)-4-pyridinyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

C19H19F4N7 — CID 71622873

IUPAC6-[6-(1,1-difluoroethyl)-2-pyridinyl]-4-N-[2-(difluoromethyl)-4-pyridinyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(Nc2ccnc(C(F)F)c2)nc(-c2cccc(C(C)(F)F)n2)n1
InChIInChI=1S/C19H19F4N7/c1-10(2)25-17-28-16(12-5-4-6-14(27-12)19(3,22)23)29-18(30-17)26-11-7-8-24-13(9-11)15(20)21/h4-10,15H,1-3H3,(H2,24,25,26,28,29,30)
InChIKeyOXEUQUALGFGQTR-UHFFFAOYSA-N
MW421.40 g/mol
LogP4.94
Rot. Bonds7

About 6-[6-(1,1-difluoroethyl)-2-pyridinyl]-4-N-[2-(difluoromethyl)-4-pyridinyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

6-[6-(1,1-difluoroethyl)-2-pyridinyl]-4-N-[2-(difluoromethyl)-4-pyridinyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 71622873) has the molecular formula C19H19F4N7 and a molecular weight of 421.40 g/mol. Its IUPAC name is 6-[6-(1,1-difluoroethyl)-2-pyridinyl]-4-N-[2-(difluoromethyl)-4-pyridinyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[6-(1,1-difluoroethyl)-2-pyridinyl]-4-N-[2-(difluoromethyl)-4-pyridinyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID71622873
Molecular FormulaC19H19F4N7
Molecular Weight421.40 g/mol
Exact Mass421.16
IUPAC Name6-[6-(1,1-difluoroethyl)-2-pyridinyl]-4-N-[2-(difluoromethyl)-4-pyridinyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(Nc2ccnc(C(F)F)c2)nc(-c2cccc(C(C)(F)F)n2)n1
InChIInChI=1S/C19H19F4N7/c1-10(2)25-17-28-16(12-5-4-6-14(27-12)19(3,22)23)29-18(30-17)26-11-7-8-24-13(9-11)15(20)21/h4-10,15H,1-3H3,(H2,24,25,26,28,29,30)
InChIKeyOXEUQUALGFGQTR-UHFFFAOYSA-N
XLogP4.94
TPSA88.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.40
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[6-(1,1-difluoroethyl)-2-pyridinyl]-4-N-[2-(difluoromethyl)-4-pyridinyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(1,1-difluoroethyl)-2-pyridinyl]-4-N-[2-(difluoromethyl)-4-pyridinyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[6-(1,1-difluoroethyl)-2-pyridinyl]-4-N-[2-(difluoromethyl)-4-pyridinyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 71622873) is 6-[6-(1,1-difluoroethyl)-2-pyridinyl]-4-N-[2-(difluoromethyl)-4-pyridinyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[6-(1,1-difluoroethyl)-2-pyridinyl]-4-N-[2-(difluoromethyl)-4-pyridinyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[6-(1,1-difluoroethyl)-2-pyridinyl]-4-N-[2-(difluoromethyl)-4-pyridinyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is CC(C)Nc1nc(Nc2ccnc(C(F)F)c2)nc(-c2cccc(C(C)(F)F)n2)n1.
What is the InChIKey of 6-[6-(1,1-difluoroethyl)-2-pyridinyl]-4-N-[2-(difluoromethyl)-4-pyridinyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is OXEUQUALGFGQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4N7/c1-10(2)25-17-28-16(12-5-4-6-14(27-12)19(3,22)23)29-18(30-17)26-11-7-8-24-13(9-11)15(20)21/h4-10,15H,1-3H3,(H2,24,25,26,28,29,30).
What are the key properties of 6-[6-(1,1-difluoroethyl)-2-pyridinyl]-4-N-[2-(difluoromethyl)-4-pyridinyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
6-[6-(1,1-difluoroethyl)-2-pyridinyl]-4-N-[2-(difluoromethyl)-4-pyridinyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 421.40 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(1,1-difluoroethyl)-2-pyridinyl]-4-N-[2-(difluoromethyl)-4-pyridinyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 71622873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).