2-N-fluoro-4-N-[2-[[4-(fluoroamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

C17H26F2N12O2 — CID 18343906

IUPAC2-N-fluoro-4-N-[2-[[4-(fluoroamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCC(CNc1nc(NF)nc(N2CCOCC2)n1)Nc1nc(NF)nc(N2CCOCC2)n1
InChIInChI=1S/C17H26F2N12O2/c1-11(21-13-23-15(29-19)27-17(25-13)31-4-8-33-9-5-31)10-20-12-22-14(28-18)26-16(24-12)30-2-6-32-7-3-30/h11H,2-10H2,1H3,(H2,20,22,24,26,28)(H2,21,23,25,27,29)
InChIKeyUVLHCMCOLNHGHQ-UHFFFAOYSA-N
MW468.47 g/mol
LogP0.24
Rot. Bonds9

About 2-N-fluoro-4-N-[2-[[4-(fluoroamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

2-N-fluoro-4-N-[2-[[4-(fluoroamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 18343906) has the molecular formula C17H26F2N12O2 and a molecular weight of 468.47 g/mol. Its IUPAC name is 2-N-fluoro-4-N-[2-[[4-(fluoroamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-fluoro-4-N-[2-[[4-(fluoroamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID18343906
Molecular FormulaC17H26F2N12O2
Molecular Weight468.47 g/mol
Exact Mass468.23
IUPAC Name2-N-fluoro-4-N-[2-[[4-(fluoroamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCC(CNc1nc(NF)nc(N2CCOCC2)n1)Nc1nc(NF)nc(N2CCOCC2)n1
InChIInChI=1S/C17H26F2N12O2/c1-11(21-13-23-15(29-19)27-17(25-13)31-4-8-33-9-5-31)10-20-12-22-14(28-18)26-16(24-12)30-2-6-32-7-3-30/h11H,2-10H2,1H3,(H2,20,22,24,26,28)(H2,21,23,25,27,29)
InChIKeyUVLHCMCOLNHGHQ-UHFFFAOYSA-N
XLogP0.24
TPSA150.40 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.47
LogP ≤ 50.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-N-fluoro-4-N-[2-[[4-(fluoroamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-fluoro-4-N-[2-[[4-(fluoroamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-fluoro-4-N-[2-[[4-(fluoroamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 18343906) is 2-N-fluoro-4-N-[2-[[4-(fluoroamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-fluoro-4-N-[2-[[4-(fluoroamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-fluoro-4-N-[2-[[4-(fluoroamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is CC(CNc1nc(NF)nc(N2CCOCC2)n1)Nc1nc(NF)nc(N2CCOCC2)n1.
What is the InChIKey of 2-N-fluoro-4-N-[2-[[4-(fluoroamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is UVLHCMCOLNHGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N12O2/c1-11(21-13-23-15(29-19)27-17(25-13)31-4-8-33-9-5-31)10-20-12-22-14(28-18)26-16(24-12)30-2-6-32-7-3-30/h11H,2-10H2,1H3,(H2,20,22,24,26,28)(H2,21,23,25,27,29).
What are the key properties of 2-N-fluoro-4-N-[2-[[4-(fluoroamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
2-N-fluoro-4-N-[2-[[4-(fluoroamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 468.47 g/mol, XLogP of 0.24, 9 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-fluoro-4-N-[2-[[4-(fluoroamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 18343906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).