6-chloro-2-(4-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(4-fluorophenyl)-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine

C38H28ClF8N7O3 — CID 158246467

IUPAC6-chloro-2-(4-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(4-fluorophenyl)-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESFc1ccc(-c2nc(Cl)cc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1.Fc1ccc(-c2nc(Nc3ccc(OC(F)(F)F)cc3)cc(N3CCOCC3)n2)cc1
InChIInChI=1S/C21H18F4N4O2.C17H10ClF4N3O/c22-15-3-1-14(2-4-15)20-27-18(13-19(28-20)29-9-11-30-12-10-29)26-16-5-7-17(8-6-16)31-21(23,24)25;18-14-9-15(25-16(24-14)10-1-3-11(19)4-2-10)23-12-5-7-13(8-6-12)26-17(20,21)22/h1-8,13H,9-12H2,(H,26,27,28);1-9H,(H,23,24,25)
InChIKeyGGEDPTHYKRQNRB-UHFFFAOYSA-N
MW818.12 g/mol
LogP10.34
Rot. Bonds9

About 6-chloro-2-(4-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(4-fluorophenyl)-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine

6-chloro-2-(4-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(4-fluorophenyl)-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine (PubChem CID 158246467) has the molecular formula C38H28ClF8N7O3 and a molecular weight of 818.12 g/mol. Its IUPAC name is 6-chloro-2-(4-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(4-fluorophenyl)-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(4-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(4-fluorophenyl)-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
PubChem CID158246467
Molecular FormulaC38H28ClF8N7O3
Molecular Weight818.12 g/mol
Exact Mass817.18
IUPAC Name6-chloro-2-(4-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(4-fluorophenyl)-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESFc1ccc(-c2nc(Cl)cc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1.Fc1ccc(-c2nc(Nc3ccc(OC(F)(F)F)cc3)cc(N3CCOCC3)n2)cc1
InChIInChI=1S/C21H18F4N4O2.C17H10ClF4N3O/c22-15-3-1-14(2-4-15)20-27-18(13-19(28-20)29-9-11-30-12-10-29)26-16-5-7-17(8-6-16)31-21(23,24)25;18-14-9-15(25-16(24-14)10-1-3-11(19)4-2-10)23-12-5-7-13(8-6-12)26-17(20,21)22/h1-8,13H,9-12H2,(H,26,27,28);1-9H,(H,23,24,25)
InChIKeyGGEDPTHYKRQNRB-UHFFFAOYSA-N
XLogP10.34
TPSA106.55 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.12
LogP ≤ 510.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-chloro-2-(4-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(4-fluorophenyl)-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine with MolForge

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Related Compounds

N*2*-(4-Fluoro-2-methyl-phenyl)-N*4*-methyl-6-(3-morpholin-4-yl-propoxy)-N*4*-phenyl-quinazoline-2,4-diamine
CID 10255469
4-N-(3-fluoro-2-methylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine
CID 54764412
4-N-(4-fluoro-2-methylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine
CID 57395995
2-N-(4-methoxyphenyl)-6-piperidin-1-yl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 57399459
2-N-[4-(morpholin-4-ylmethyl)phenyl]-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 44532696
N-(3-chloro-4-(3-fluorobenzyloxy)phenyl)-6-methyl-5-(4-(morpholinomethyl)styryl)pyrimidin-4-amine
CID 51346887
2-chloro-N-[4-[2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]ethoxy]phenyl]-N-methylquinazolin-4-amine
CID 127033339
6-N-(4-chlorophenyl)-4-N-[3-fluoro-4-[(3-pyridin-3-yl-4-pyridinyl)oxy]phenyl]pyrimidine-4,6-diamine
CID 134154555
6-N-(3-chlorophenyl)-4-N-[3-fluoro-4-[(3-pyridin-3-yl-4-pyridinyl)oxy]phenyl]pyrimidine-4,6-diamine
CID 134155152
6-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)-5-phenylpyrimidin-4-amine
CID 145983816
6-chloro-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)pyrimidin-4-amine
CID 145984124
6-chloro-2-(4-methoxyphenyl)-5-phenyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-4-amine
CID 145984478

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(4-fluorophenyl)-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-(4-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(4-fluorophenyl)-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine (CID 158246467) is 6-chloro-2-(4-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(4-fluorophenyl)-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-(4-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(4-fluorophenyl)-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-(4-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(4-fluorophenyl)-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine is Fc1ccc(-c2nc(Cl)cc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1.Fc1ccc(-c2nc(Nc3ccc(OC(F)(F)F)cc3)cc(N3CCOCC3)n2)cc1.
What is the InChIKey of 6-chloro-2-(4-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(4-fluorophenyl)-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The InChIKey is GGEDPTHYKRQNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4N4O2.C17H10ClF4N3O/c22-15-3-1-14(2-4-15)20-27-18(13-19(28-20)29-9-11-30-12-10-29)26-16-5-7-17(8-6-16)31-21(23,24)25;18-14-9-15(25-16(24-14)10-1-3-11(19)4-2-10)23-12-5-7-13(8-6-12)26-17(20,21)22/h1-8,13H,9-12H2,(H,26,27,28);1-9H,(H,23,24,25).
What are the key properties of 6-chloro-2-(4-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(4-fluorophenyl)-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
6-chloro-2-(4-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(4-fluorophenyl)-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine has a molecular weight of 818.12 g/mol, XLogP of 10.34, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(4-fluorophenyl)-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 158246467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).