4-N-[(3-bromophenyl)methyl]-6-morpholin-4-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine

C16H18BrF3N6O — CID 134108238

IUPAC4-N-[(3-bromophenyl)methyl]-6-morpholin-4-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESFC(F)(F)CNc1nc(NCc2cccc(Br)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H18BrF3N6O/c17-12-3-1-2-11(8-12)9-21-13-23-14(22-10-16(18,19)20)25-15(24-13)26-4-6-27-7-5-26/h1-3,8H,4-7,9-10H2,(H2,21,22,23,24,25)
InChIKeyGBUZRVHPEONRIO-UHFFFAOYSA-N
MW447.26 g/mol
LogP3.06
Rot. Bonds6

About 4-N-[(3-bromophenyl)methyl]-6-morpholin-4-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine

4-N-[(3-bromophenyl)methyl]-6-morpholin-4-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 134108238) has the molecular formula C16H18BrF3N6O and a molecular weight of 447.26 g/mol. Its IUPAC name is 4-N-[(3-bromophenyl)methyl]-6-morpholin-4-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(3-bromophenyl)methyl]-6-morpholin-4-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
PubChem CID134108238
Molecular FormulaC16H18BrF3N6O
Molecular Weight447.26 g/mol
Exact Mass446.07
IUPAC Name4-N-[(3-bromophenyl)methyl]-6-morpholin-4-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESFC(F)(F)CNc1nc(NCc2cccc(Br)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H18BrF3N6O/c17-12-3-1-2-11(8-12)9-21-13-23-14(22-10-16(18,19)20)25-15(24-13)26-4-6-27-7-5-26/h1-3,8H,4-7,9-10H2,(H2,21,22,23,24,25)
InChIKeyGBUZRVHPEONRIO-UHFFFAOYSA-N
XLogP3.06
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.26
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-[(3-bromophenyl)methyl]-6-morpholin-4-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-benzyl-6-morpholin-4-yl-2-N-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine;hydrochloride
CID 91962061
4-N-benzyl-6-piperidin-1-yl-2-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine
CID 23984522
4-N-benzyl-2-N-[(E)-(4-iodophenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 56697446
4-N-benzyl-2-N-[(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 3110848
2-N-[(4-bromophenyl)methylideneamino]-6-morpholin-4-yl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 75611620
1-(3-bromophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]methanamine
CID 55684100
4-N-benzyl-2-N-[(2-bromo-5-methoxyphenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 91962149
4-N-methyl-6-morpholin-4-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773229
N-[(1-methylindol-5-yl)methyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 171678508
4-bromo-2-[(Z)-[[4-morpholin-4-yl-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 136772688
4-N-methyl-6-piperidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80785798
2-N-[(E)-(3-bromophenyl)methylideneamino]-6-morpholin-4-yl-4-N-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine
CID 56696120

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-bromophenyl)methyl]-6-morpholin-4-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[(3-bromophenyl)methyl]-6-morpholin-4-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (CID 134108238) is 4-N-[(3-bromophenyl)methyl]-6-morpholin-4-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-[(3-bromophenyl)methyl]-6-morpholin-4-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[(3-bromophenyl)methyl]-6-morpholin-4-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is FC(F)(F)CNc1nc(NCc2cccc(Br)c2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-N-[(3-bromophenyl)methyl]-6-morpholin-4-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is GBUZRVHPEONRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrF3N6O/c17-12-3-1-2-11(8-12)9-21-13-23-14(22-10-16(18,19)20)25-15(24-13)26-4-6-27-7-5-26/h1-3,8H,4-7,9-10H2,(H2,21,22,23,24,25).
What are the key properties of 4-N-[(3-bromophenyl)methyl]-6-morpholin-4-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
4-N-[(3-bromophenyl)methyl]-6-morpholin-4-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 447.26 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-bromophenyl)methyl]-6-morpholin-4-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 134108238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).