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

C19H17ClF2N6O — CID 18580206

IUPAC2-N-(3-chloro-4-fluorophenyl)-4-N-(3-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESFc1cccc(Nc2nc(Nc3ccc(F)c(Cl)c3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C19H17ClF2N6O/c20-15-11-14(4-5-16(15)22)24-18-25-17(23-13-3-1-2-12(21)10-13)26-19(27-18)28-6-8-29-9-7-28/h1-5,10-11H,6-9H2,(H2,23,24,25,26,27)
InChIKeyKFYFSEKQWHMJSP-UHFFFAOYSA-N
MW418.84 g/mol
LogP4.13
Rot. Bonds5

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

2-N-(3-chloro-4-fluorophenyl)-4-N-(3-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 18580206) has the molecular formula C19H17ClF2N6O and a molecular weight of 418.84 g/mol. Its IUPAC name is 2-N-(3-chloro-4-fluorophenyl)-4-N-(3-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chloro-4-fluorophenyl)-4-N-(3-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID18580206
Molecular FormulaC19H17ClF2N6O
Molecular Weight418.84 g/mol
Exact Mass418.11
IUPAC Name2-N-(3-chloro-4-fluorophenyl)-4-N-(3-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESFc1cccc(Nc2nc(Nc3ccc(F)c(Cl)c3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C19H17ClF2N6O/c20-15-11-14(4-5-16(15)22)24-18-25-17(23-13-3-1-2-12(21)10-13)26-19(27-18)28-6-8-29-9-7-28/h1-5,10-11H,6-9H2,(H2,23,24,25,26,27)
InChIKeyKFYFSEKQWHMJSP-UHFFFAOYSA-N
XLogP4.13
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.84
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-4-fluorophenyl)-4-N-(3-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-chloro-4-fluorophenyl)-4-N-(3-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 18580206) is 2-N-(3-chloro-4-fluorophenyl)-4-N-(3-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-chloro-4-fluorophenyl)-4-N-(3-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-chloro-4-fluorophenyl)-4-N-(3-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is Fc1cccc(Nc2nc(Nc3ccc(F)c(Cl)c3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 2-N-(3-chloro-4-fluorophenyl)-4-N-(3-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is KFYFSEKQWHMJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N6O/c20-15-11-14(4-5-16(15)22)24-18-25-17(23-13-3-1-2-12(21)10-13)26-19(27-18)28-6-8-29-9-7-28/h1-5,10-11H,6-9H2,(H2,23,24,25,26,27).
What are the key properties of 2-N-(3-chloro-4-fluorophenyl)-4-N-(3-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
2-N-(3-chloro-4-fluorophenyl)-4-N-(3-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 418.84 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-4-fluorophenyl)-4-N-(3-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 18580206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).