2-N,4-N-bis(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

C19H18F2N6O — CID 1333301

IUPAC2-N,4-N-bis(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESFc1ccc(Nc2nc(Nc3ccc(F)cc3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H18F2N6O/c20-13-1-5-15(6-2-13)22-17-24-18(23-16-7-3-14(21)4-8-16)26-19(25-17)27-9-11-28-12-10-27/h1-8H,9-12H2,(H2,22,23,24,25,26)
InChIKeyVQZSWCFNXLJCBU-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.47
Rot. Bonds5

About 2-N,4-N-bis(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

2-N,4-N-bis(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 1333301) has the molecular formula C19H18F2N6O and a molecular weight of 384.39 g/mol. Its IUPAC name is 2-N,4-N-bis(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID1333301
Molecular FormulaC19H18F2N6O
Molecular Weight384.39 g/mol
Exact Mass384.15
IUPAC Name2-N,4-N-bis(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESFc1ccc(Nc2nc(Nc3ccc(F)cc3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H18F2N6O/c20-13-1-5-15(6-2-13)22-17-24-18(23-16-7-3-14(21)4-8-16)26-19(25-17)27-9-11-28-12-10-27/h1-8H,9-12H2,(H2,22,23,24,25,26)
InChIKeyVQZSWCFNXLJCBU-UHFFFAOYSA-N
XLogP3.47
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 1333301) is 2-N,4-N-bis(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is Fc1ccc(Nc2nc(Nc3ccc(F)cc3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 2-N,4-N-bis(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is VQZSWCFNXLJCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N6O/c20-13-1-5-15(6-2-13)22-17-24-18(23-16-7-3-14(21)4-8-16)26-19(25-17)27-9-11-28-12-10-27/h1-8H,9-12H2,(H2,22,23,24,25,26).
What are the key properties of 2-N,4-N-bis(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 384.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 1333301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).