4-[7-methoxy-3-[2-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-yl]naphthalen-1-yl]morpholine

C28H26F3N3O2 — CID 58336359

IUPAC4-[7-methoxy-3-[2-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-yl]naphthalen-1-yl]morpholine
SMILESCOc1ccc2cc(-c3ccnc(CCc4cccc(C(F)(F)F)c4)n3)cc(N3CCOCC3)c2c1
InChIInChI=1S/C28H26F3N3O2/c1-35-23-7-6-20-16-21(17-26(24(20)18-23)34-11-13-36-14-12-34)25-9-10-32-27(33-25)8-5-19-3-2-4-22(15-19)28(29,30)31/h2-4,6-7,9-10,15-18H,5,8,11-14H2,1H3
InChIKeyNFSRCIFMMBDJMN-UHFFFAOYSA-N
MW493.53 g/mol
LogP5.95
Rot. Bonds6

About 4-[7-methoxy-3-[2-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-yl]naphthalen-1-yl]morpholine

4-[7-methoxy-3-[2-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-yl]naphthalen-1-yl]morpholine (PubChem CID 58336359) has the molecular formula C28H26F3N3O2 and a molecular weight of 493.53 g/mol. Its IUPAC name is 4-[7-methoxy-3-[2-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-yl]naphthalen-1-yl]morpholine.

Molecular Properties

Compound Name4-[7-methoxy-3-[2-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-yl]naphthalen-1-yl]morpholine
PubChem CID58336359
Molecular FormulaC28H26F3N3O2
Molecular Weight493.53 g/mol
Exact Mass493.20
IUPAC Name4-[7-methoxy-3-[2-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-yl]naphthalen-1-yl]morpholine
SMILESCOc1ccc2cc(-c3ccnc(CCc4cccc(C(F)(F)F)c4)n3)cc(N3CCOCC3)c2c1
InChIInChI=1S/C28H26F3N3O2/c1-35-23-7-6-20-16-21(17-26(24(20)18-23)34-11-13-36-14-12-34)25-9-10-32-27(33-25)8-5-19-3-2-4-22(15-19)28(29,30)31/h2-4,6-7,9-10,15-18H,5,8,11-14H2,1H3
InChIKeyNFSRCIFMMBDJMN-UHFFFAOYSA-N
XLogP5.95
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.53
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 10429017
5-[(8-Methoxy-2-methyl-7-prop-2-enylquinolin-5-yl)methyl]pyrimidine-2,4-diamine
CID 12849779
5-[(8-Methoxy-7-propylquinolin-5-yl)methyl]pyrimidine-2,4-diamine
CID 12849783
(16E)-14-methyl-11-morpholin-4-yl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene
CID 16739839
4-[6-(2-Methoxyphenyl)quinazolin-4-yl]morpholine
CID 3233812
4-[6-(3-Methoxyphenyl)quinazolin-4-yl]morpholine
CID 3235058
(5-(4-Methoxyphenyl)-4-p-tolylpyrimidin-2-yl)(4-(naphthalen-2-yl)piperazin-1-yl)methanone
CID 54586174
4-[7-(3,4-Dimethoxyphenyl)quinazolin-4-yl]morpholine
CID 168299758
US9670214, Table 16.29
CID 68628582
8-[2-Methoxy-4-(trifluoromethyl)phenyl])-N-[4-(piperidin-4-yl)-2,3-dihydro-1-benzofuran-7-yl]quinazolin-2-amine
CID 122648737
7-(2-fluoro-6-methylphenyl)-2-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazoline-2,5-diamine
CID 163290803
4-Fluoro-3-[2-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]quinazolin-7-yl]benzonitrile
CID 163290807

Frequently Asked Questions

What is the IUPAC name of 4-[7-methoxy-3-[2-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-yl]naphthalen-1-yl]morpholine?
The IUPAC name of 4-[7-methoxy-3-[2-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-yl]naphthalen-1-yl]morpholine (CID 58336359) is 4-[7-methoxy-3-[2-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-yl]naphthalen-1-yl]morpholine.
What is the SMILES notation for 4-[7-methoxy-3-[2-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-yl]naphthalen-1-yl]morpholine?
The canonical SMILES for 4-[7-methoxy-3-[2-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-yl]naphthalen-1-yl]morpholine is COc1ccc2cc(-c3ccnc(CCc4cccc(C(F)(F)F)c4)n3)cc(N3CCOCC3)c2c1.
What is the InChIKey of 4-[7-methoxy-3-[2-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-yl]naphthalen-1-yl]morpholine?
The InChIKey is NFSRCIFMMBDJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F3N3O2/c1-35-23-7-6-20-16-21(17-26(24(20)18-23)34-11-13-36-14-12-34)25-9-10-32-27(33-25)8-5-19-3-2-4-22(15-19)28(29,30)31/h2-4,6-7,9-10,15-18H,5,8,11-14H2,1H3.
What are the key properties of 4-[7-methoxy-3-[2-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-yl]naphthalen-1-yl]morpholine?
4-[7-methoxy-3-[2-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-yl]naphthalen-1-yl]morpholine has a molecular weight of 493.53 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-methoxy-3-[2-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-yl]naphthalen-1-yl]morpholine is sourced from PubChem (CID 58336359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).