N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrimidin-2-amine

C25H20F10N4O — CID 86626778

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrimidin-2-amine
SMILESFc1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncc(N2CCOCC2)cn1
InChIInChI=1S/C25H20F10N4O/c26-21-2-1-17(23(27,28)29)9-16(21)14-39(22-36-11-20(12-37-22)38-3-5-40-6-4-38)13-15-7-18(24(30,31)32)10-19(8-15)25(33,34)35/h1-2,7-12H,3-6,13-14H2
InChIKeyAXQNKPTYGOIKJO-UHFFFAOYSA-N
MW582.44 g/mol
LogP6.72
Rot. Bonds6

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrimidin-2-amine

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrimidin-2-amine (PubChem CID 86626778) has the molecular formula C25H20F10N4O and a molecular weight of 582.44 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrimidin-2-amine
PubChem CID86626778
Molecular FormulaC25H20F10N4O
Molecular Weight582.44 g/mol
Exact Mass582.15
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrimidin-2-amine
SMILESFc1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncc(N2CCOCC2)cn1
InChIInChI=1S/C25H20F10N4O/c26-21-2-1-17(23(27,28)29)9-16(21)14-39(22-36-11-20(12-37-22)38-3-5-40-6-4-38)13-15-7-18(24(30,31)32)10-19(8-15)25(33,34)35/h1-2,7-12H,3-6,13-14H2
InChIKeyAXQNKPTYGOIKJO-UHFFFAOYSA-N
XLogP6.72
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.44
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrimidin-2-amine 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

2-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-(trifluoromethyl)phenyl]phenol
CID 86626865
tert-butyl 3-[2-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-(trifluoromethyl)phenyl]ethylamino]propanoate
CID 142759712
sodium 7-[2-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-(trifluoromethyl)phenyl]ethylamino]heptanoate
CID 142759726
ethyl 7-[2-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-(trifluoromethyl)phenyl]ethylamino]heptanoate
CID 142759729
4-[1-[3-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]ethoxy]butanoic acid
CID 25217856
3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-N-(dicyclopropylmethyl)-8-methylquinolin-2-amine
CID 57444412
4-[[3-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-(trifluoromethyl)phenyl]-2-methoxy-5-propan-2-ylphenyl]methoxy]butanoic acid
CID 25217728
N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]quinolin-2-amine
CID 118642707
5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-N-(cyclopropen-1-ylmethyl)-N-(cyclopropylmethyl)-1-ethylpyrazolo[3,4-b]pyridin-6-amine
CID 149134115
1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-[ethoxycarbonyl(ethyl)amino]-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]piperidine-4-carboxylic acid
CID 87263186
2-[4-(2-methyl-5-propan-2-ylphenyl)-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]phenoxy]acetic acid
CID 70641932
ethyl (2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 11285503

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrimidin-2-amine (CID 86626778) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrimidin-2-amine is Fc1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncc(N2CCOCC2)cn1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is AXQNKPTYGOIKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F10N4O/c26-21-2-1-17(23(27,28)29)9-16(21)14-39(22-36-11-20(12-37-22)38-3-5-40-6-4-38)13-15-7-18(24(30,31)32)10-19(8-15)25(33,34)35/h1-2,7-12H,3-6,13-14H2.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrimidin-2-amine?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 582.44 g/mol, XLogP of 6.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 86626778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).