4-(6-methoxy-4-piperidin-1-ylnaphthalen-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine

C29H28F3N3O — CID 58336366

IUPAC4-(6-methoxy-4-piperidin-1-ylnaphthalen-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine
SMILESCOc1ccc2cc(-c3ccnc(CCc4cccc(C(F)(F)F)c4)n3)cc(N3CCCCC3)c2c1
InChIInChI=1S/C29H28F3N3O/c1-36-24-10-9-21-17-22(18-27(25(21)19-24)35-14-3-2-4-15-35)26-12-13-33-28(34-26)11-8-20-6-5-7-23(16-20)29(30,31)32/h5-7,9-10,12-13,16-19H,2-4,8,11,14-15H2,1H3
InChIKeyWFLZRJQOYMYJEZ-UHFFFAOYSA-N
MW491.56 g/mol
LogP7.10
Rot. Bonds6

About 4-(6-methoxy-4-piperidin-1-ylnaphthalen-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine

4-(6-methoxy-4-piperidin-1-ylnaphthalen-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine (PubChem CID 58336366) has the molecular formula C29H28F3N3O and a molecular weight of 491.56 g/mol. Its IUPAC name is 4-(6-methoxy-4-piperidin-1-ylnaphthalen-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine.

Molecular Properties

Compound Name4-(6-methoxy-4-piperidin-1-ylnaphthalen-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine
PubChem CID58336366
Molecular FormulaC29H28F3N3O
Molecular Weight491.56 g/mol
Exact Mass491.22
IUPAC Name4-(6-methoxy-4-piperidin-1-ylnaphthalen-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine
SMILESCOc1ccc2cc(-c3ccnc(CCc4cccc(C(F)(F)F)c4)n3)cc(N3CCCCC3)c2c1
InChIInChI=1S/C29H28F3N3O/c1-36-24-10-9-21-17-22(18-27(25(21)19-24)35-14-3-2-4-15-35)26-12-13-33-28(34-26)11-8-20-6-5-7-23(16-20)29(30,31)32/h5-7,9-10,12-13,16-19H,2-4,8,11,14-15H2,1H3
InChIKeyWFLZRJQOYMYJEZ-UHFFFAOYSA-N
XLogP7.10
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.56
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(6-methoxy-4-piperidin-1-ylnaphthalen-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine 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

5-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 10406636
7-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 10429017
6-Ethyl-5-{3-[3-(Isoquinolin-5-Yl)-5-Methoxyphenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 71560296
6-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 10361588
6-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinoline
CID 16748083
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
4-(6-Methoxy-1,2,3,4-tetrahydro-1-quinolyl)quinazoline
CID 117988849
5-(6-Methoxynaphthalen-2-yl)pyrimidine
CID 11586722
6-(3-methoxyphenyl)-N-(3-pyridinylmethyl)-4-quinazolinamine
CID 3235086
6-(4-Ethyl-piperazin-1-yl)-8-methoxy-benzo[k]phenanthridine
CID 9999312
8-Methoxy-6-(4-methyl-piperazin-1-yl)-benzo[k]phenanthridine
CID 10428426

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-4-piperidin-1-ylnaphthalen-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine?
The IUPAC name of 4-(6-methoxy-4-piperidin-1-ylnaphthalen-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine (CID 58336366) is 4-(6-methoxy-4-piperidin-1-ylnaphthalen-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine.
What is the SMILES notation for 4-(6-methoxy-4-piperidin-1-ylnaphthalen-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine?
The canonical SMILES for 4-(6-methoxy-4-piperidin-1-ylnaphthalen-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine is COc1ccc2cc(-c3ccnc(CCc4cccc(C(F)(F)F)c4)n3)cc(N3CCCCC3)c2c1.
What is the InChIKey of 4-(6-methoxy-4-piperidin-1-ylnaphthalen-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine?
The InChIKey is WFLZRJQOYMYJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F3N3O/c1-36-24-10-9-21-17-22(18-27(25(21)19-24)35-14-3-2-4-15-35)26-12-13-33-28(34-26)11-8-20-6-5-7-23(16-20)29(30,31)32/h5-7,9-10,12-13,16-19H,2-4,8,11,14-15H2,1H3.
What are the key properties of 4-(6-methoxy-4-piperidin-1-ylnaphthalen-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine?
4-(6-methoxy-4-piperidin-1-ylnaphthalen-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine has a molecular weight of 491.56 g/mol, XLogP of 7.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-4-piperidin-1-ylnaphthalen-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine is sourced from PubChem (CID 58336366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).