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

C18H29FN12O2 — CID 21028170

IUPAC2-N-[1-[[4-(fluoroamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propan-2-yl]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC(C)CNc2nc(NF)nc(N3CCOCC3)n2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H29FN12O2/c1-12(22-15-23-13(20-2)25-17(27-15)30-3-7-32-8-4-30)11-21-14-24-16(29-19)28-18(26-14)31-5-9-33-10-6-31/h12H,3-11H2,1-2H3,(H2,20,22,23,25,27)(H2,21,24,26,28,29)
InChIKeyMCRMJOHDWJSVDE-UHFFFAOYSA-N
MW464.51 g/mol
LogP-0.02
Rot. Bonds9

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

2-N-[1-[[4-(fluoroamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propan-2-yl]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 21028170) has the molecular formula C18H29FN12O2 and a molecular weight of 464.51 g/mol. Its IUPAC name is 2-N-[1-[[4-(fluoroamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propan-2-yl]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-[[4-(fluoroamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propan-2-yl]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID21028170
Molecular FormulaC18H29FN12O2
Molecular Weight464.51 g/mol
Exact Mass464.25
IUPAC Name2-N-[1-[[4-(fluoroamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propan-2-yl]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC(C)CNc2nc(NF)nc(N3CCOCC3)n2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H29FN12O2/c1-12(22-15-23-13(20-2)25-17(27-15)30-3-7-32-8-4-30)11-21-14-24-16(29-19)28-18(26-14)31-5-9-33-10-6-31/h12H,3-11H2,1-2H3,(H2,20,22,23,25,27)(H2,21,24,26,28,29)
InChIKeyMCRMJOHDWJSVDE-UHFFFAOYSA-N
XLogP-0.02
TPSA150.40 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.51
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-N-[1-[[4-(fluoroamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propan-2-yl]-4-N-methyl-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-[1-[[4-(fluoroamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propan-2-yl]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[1-[[4-(fluoroamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propan-2-yl]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 21028170) is 2-N-[1-[[4-(fluoroamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propan-2-yl]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[1-[[4-(fluoroamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propan-2-yl]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[1-[[4-(fluoroamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propan-2-yl]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is CNc1nc(NC(C)CNc2nc(NF)nc(N3CCOCC3)n2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-N-[1-[[4-(fluoroamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propan-2-yl]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is MCRMJOHDWJSVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN12O2/c1-12(22-15-23-13(20-2)25-17(27-15)30-3-7-32-8-4-30)11-21-14-24-16(29-19)28-18(26-14)31-5-9-33-10-6-31/h12H,3-11H2,1-2H3,(H2,20,22,23,25,27)(H2,21,24,26,28,29).
What are the key properties of 2-N-[1-[[4-(fluoroamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propan-2-yl]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
2-N-[1-[[4-(fluoroamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propan-2-yl]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 464.51 g/mol, XLogP of -0.02, 9 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-[[4-(fluoroamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propan-2-yl]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 21028170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).