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

C20H21FN6O — CID 633282

IUPAC4-N-benzyl-2-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESFc1ccc(Nc2nc(NCc3ccccc3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H21FN6O/c21-16-6-8-17(9-7-16)23-19-24-18(22-14-15-4-2-1-3-5-15)25-20(26-19)27-10-12-28-13-11-27/h1-9H,10-14H2,(H2,22,23,24,25,26)
InChIKeyDOHSHEIXJNANNF-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.20
Rot. Bonds6

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

4-N-benzyl-2-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 633282) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is 4-N-benzyl-2-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID633282
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC Name4-N-benzyl-2-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESFc1ccc(Nc2nc(NCc3ccccc3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H21FN6O/c21-16-6-8-17(9-7-16)23-19-24-18(22-14-15-4-2-1-3-5-15)25-20(26-19)27-10-12-28-13-11-27/h1-9H,10-14H2,(H2,22,23,24,25,26)
InChIKeyDOHSHEIXJNANNF-UHFFFAOYSA-N
XLogP3.20
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-benzyl-2-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-Anilino-4,6-DI(4-morpholinyl)-1,3,5-triazine
CID 749680
1,3,5-Triazine-2,4-diamine, 6-(4-morpholinyl)-n2,n4-diphenyl-
CID 780750
4-({4-[3-(Morpholin-4-Yl)propoxy]-6-[(2,4,6-Trimethylphenyl)amino]-1,3,5-Triazin-2-Yl}amino)benzonitrile
CID 72163596
4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl)amino]benzonitrile
CID 72163598
4-[[4-(2,6-Difluoro-4-methyl-anilino)-6-(3-morpholinopropoxy)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 72163599
(4,6-Di-morpholin-4-yl-[1,3,5]triazin-2-yl)-m-tolyl-amine
CID 1117926
2-[[4-(3-Methylanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 3146158
2-[[4-(4-Methylanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 23648018
N-(2-Morpholin-4-yl-ethyl)-N',N''-diphenyl-[1,3,5]triazine-2,4,6-triamine
CID 1095342
N,N'-bis(4-fluorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine
CID 1333301
N2,N4-bis(p-tolyl)-N6-(tetrahydrofuran-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 2861253
4-(diphenylamino)-N,N,N-trimethyl-6-(morpholin-4-yl)-1,3,5-triazin-2-aminium
CID 3513539

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 633282) is 4-N-benzyl-2-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is Fc1ccc(Nc2nc(NCc3ccccc3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-N-benzyl-2-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is DOHSHEIXJNANNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O/c21-16-6-8-17(9-7-16)23-19-24-18(22-14-15-4-2-1-3-5-15)25-20(26-19)27-10-12-28-13-11-27/h1-9H,10-14H2,(H2,22,23,24,25,26).
What are the key properties of 4-N-benzyl-2-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
4-N-benzyl-2-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 380.43 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 633282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).