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

C20H21FN6O2 — CID 7192053

IUPAC2-N-(3-fluorophenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H21FN6O2/c1-28-17-7-5-15(6-8-17)22-18-24-19(23-16-4-2-3-14(21)13-16)26-20(25-18)27-9-11-29-12-10-27/h2-8,13H,9-12H2,1H3,(H2,22,23,24,25,26)
InChIKeyJTYJPJSWMACVJC-UHFFFAOYSA-N
MW396.43 g/mol
LogP3.34
Rot. Bonds6

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

2-N-(3-fluorophenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 7192053) has the molecular formula C20H21FN6O2 and a molecular weight of 396.43 g/mol. Its IUPAC name is 2-N-(3-fluorophenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-fluorophenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID7192053
Molecular FormulaC20H21FN6O2
Molecular Weight396.43 g/mol
Exact Mass396.17
IUPAC Name2-N-(3-fluorophenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H21FN6O2/c1-28-17-7-5-15(6-8-17)22-18-24-19(23-16-4-2-3-14(21)13-16)26-20(25-18)27-9-11-29-12-10-27/h2-8,13H,9-12H2,1H3,(H2,22,23,24,25,26)
InChIKeyJTYJPJSWMACVJC-UHFFFAOYSA-N
XLogP3.34
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-fluorophenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-fluorophenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 7192053) is 2-N-(3-fluorophenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-fluorophenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-fluorophenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is COc1ccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 2-N-(3-fluorophenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is JTYJPJSWMACVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O2/c1-28-17-7-5-15(6-8-17)22-18-24-19(23-16-4-2-3-14(21)13-16)26-20(25-18)27-9-11-29-12-10-27/h2-8,13H,9-12H2,1H3,(H2,22,23,24,25,26).
What are the key properties of 2-N-(3-fluorophenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
2-N-(3-fluorophenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 396.43 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-fluorophenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 7192053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).